3-Formyl-1-Hydroxy-7-Methoxycarbazole
PubChem CID: 53324960
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| Compound Synonyms | CHEBI:69931, 3-Formyl-1-hydroxy-7-methoxycarbazole, CHEMBL1689800, 1-hydroxy-7-methoxy-9H-carbazole-3-carbaldehyde, Q27138275 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-7-methoxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KVGOXKTZYBQADZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.735 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.951 |
| Compound Name | 3-Formyl-1-Hydroxy-7-Methoxycarbazole |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2879696444444444 |
| Inchi | InChI=1S/C14H11NO3/c1-18-9-2-3-10-11-4-8(7-16)5-13(17)14(11)15-12(10)6-9/h2-7,15,17H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C(=CC(=C3)C=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Harmandiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all