Clausine M
PubChem CID: 15550280
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| Compound Synonyms | CLAUSINE M, methyl 7-hydroxy-9H-carbazole-3-carboxylate, CHEMBL2260661, Methyl 7-hydroxy-9H-carbazole-3-carboxylic acid |
|---|---|
| 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 | methyl 7-hydroxy-9H-carbazole-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLSYIZRGLJIEKT-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.998 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.344 |
| Compound Name | Clausine M |
| 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 | -3.5525696444444446 |
| Inchi | InChI=1S/C14H11NO3/c1-18-14(17)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15-12/h2-7,15-16H,1H3 |
| Smiles | COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)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