1-ethenyl-8-methoxy-9H-pyrido[3,4-b]indol-4-ol
PubChem CID: 76329566
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2229720 |
|---|---|
| Topological Polar Surface Area | 58.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenyl-8-methoxy-9H-pyrido[3,4-b]indol-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NGXCJEVFPJQELM-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.553 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.813 |
| Compound Name | 1-ethenyl-8-methoxy-9H-pyrido[3,4-b]indol-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4582688444444445 |
| Inchi | InChI=1S/C14H12N2O2/c1-3-9-14-12(10(17)7-15-9)8-5-4-6-11(18-2)13(8)16-14/h3-7,16-17H,1H2,2H3 |
| Smiles | COC1=CC=CC2=C1NC3=C2C(=CN=C3C=C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Ailanthoides (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Picrasma Crenata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Picrasma Excelsa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Picrasma Javanica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all