Clausine O
PubChem CID: 11241634
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Clausine O, 2,7-dihydroxy-9H-carbazole-3-carbaldehyde, CHEBI:69936, CHEMBL1689804, 9H-Carbazole-3-carboxaldehyde, 2,7-dihydroxy-, Q27138279 |
|---|---|
| Topological Polar Surface Area | 73.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C13H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTRVKTRUQDUIKV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.273 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.634 |
| Compound Name | Clausine O |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 227.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 227.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4433401529411767 |
| Inchi | InChI=1S/C13H9NO3/c15-6-7-3-10-9-2-1-8(16)4-11(9)14-12(10)5-13(7)17/h1-6,14,16-17H |
| Smiles | C1=CC2=C(C=C1O)NC3=C2C=C(C(=C3)O)C=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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 Harmandiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clausena Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all