Clausine N
PubChem CID: 11954806
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| Compound Synonyms | CLAUSINE N, 7-methoxy-9H-carbazole-3-carboxylic Acid, CHEMBL2260662 |
|---|---|
| Topological Polar Surface Area | 62.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-9H-carbazole-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | USLLRQCTAZQWLY-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.634 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.807 |
| Compound Name | Clausine N |
| 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 | -3.552569644444444 |
| Inchi | InChI=1S/C14H11NO3/c1-18-9-3-4-10-11-6-8(14(16)17)2-5-12(11)15-13(10)7-9/h2-7,15H,1H3,(H,16,17) |
| 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 Excavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all