Clausine R
PubChem CID: 15550283
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| Compound Synonyms | Clausine R, methyl 1,7-dihydroxy-9H-carbazole-3-carboxylate, Methyl 1,7-dihydroxy-9H-carbazole-3-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 82.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 1,7-dihydroxy-9H-carbazole-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XCUPFKMNZJDKBY-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.099 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.078 |
| Compound Name | Clausine R |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 257.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 257.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.403134789473684 |
| Inchi | InChI=1S/C14H11NO4/c1-19-14(18)7-4-10-9-3-2-8(16)6-11(9)15-13(10)12(17)5-7/h2-6,15-17H,1H3 |
| Smiles | COC(=O)C1=CC2=C(C(=C1)O)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