1-methoxy-9H-carbazole-3-carboxylic acid
PubChem CID: 375142
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| Compound Synonyms | mukoeic acid, 1-methoxy-9H-carbazole-3-carboxylic acid, 3889-89-2, Mukoeate, NSC654276, CHEMBL498081, DTXSID901275954, NSC-654276, NCI60_018840, 9H-Carbazole-3-carboxylic acid, 1-methoxy- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccccc6[nH]cc5cccc6))))))))))C=O)O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-methoxy-9H-carbazole-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H11NO3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VZOALRHIINZPKX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.634 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.476 |
| Synonyms | mukoeic acid |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O, cOC, c[nH]c |
| Compound Name | 1-methoxy-9H-carbazole-3-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 241.24 |
| 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 | -3.5525696444444446 |
| Inchi | InChI=1S/C14H11NO3/c1-18-12-7-8(14(16)17)6-10-9-4-2-3-5-11(9)15-13(10)12/h2-7,15H,1H3,(H,16,17) |
| Smiles | COC1=CC(=CC2=C1NC3=CC=CC=C32)C(=O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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