3-Methylcarbazole
PubChem CID: 20746
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| Compound Synonyms | 3-Methyl-9H-carbazole, 4630-20-0, 3-METHYLCARBAZOLE, 9H-Carbazole, 3-methyl-, NSC 10154, Carbazole, 3-methyl-, 18UX66Z45K, EINECS 225-048-1, NSC-10154, UNII-18UX66Z45K, DTXSID90196805, 6-methylcarbazole, MFCD00464338, 3-Methyl-9H-carbazole #, SCHEMBL262221, CHEMBL1173768, DTXCID90119296, NSC10154, AKOS003654161, HY-W047478, AS-57978, DB-241170, CS-0099222, M2561, NS00031595, T72490, Q63398622, 4230-20-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | Ccccccc6)cccccc6[nH]9 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P52732 |
| Iupac Name | 3-methyl-9H-carbazole |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H11N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHKYYUQQYARDIU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0769230769230769 |
| Logs | -5.04 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.748 |
| Synonyms | 3-methylcarbazole |
| Esol Class | Moderately soluble |
| Functional Groups | c[nH]c |
| Compound Name | 3-Methylcarbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 181.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 181.089 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 181.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.013318457142857 |
| Inchi | InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3 |
| Smiles | CC1=CC2=C(C=C1)NC3=CC=CC=C32 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clausena Heptaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clausena Indica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818 - 6. Outgoing r'ship
FOUND_INto/from Micromelum Hirsutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279