1,2,8-Trimethoxy-6-methyl-9H-carbazole
PubChem CID: 59053143
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| Compound Synonyms | 1,2,8-Trimethoxy-6-methyl-9H-carbazole, murrayastine, CHEMBL4076427 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccccc6OC)))[nH]cc5cccc6OC))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,8-trimethoxy-6-methyl-9H-carbazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H17NO3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | OLQWUZUMRBBFFC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | murrayastine |
| Esol Class | Moderately soluble |
| Functional Groups | cOC, c[nH]c |
| Compound Name | 1,2,8-Trimethoxy-6-methyl-9H-carbazole |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 271.31 |
| 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 |
| Inchi | InChI=1S/C16H17NO3/c1-9-7-11-10-5-6-12(18-2)16(20-4)15(10)17-14(11)13(8-9)19-3/h5-8,17H,1-4H3 |
| Smiles | CC1=CC2=C(C(=C1)OC)NC3=C2C=CC(=C3OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788172362461