Clauraila A
PubChem CID: 51039825
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| Compound Synonyms | Clauraila A, CHEBI:69922, Claurailas A, CHEMBL1689795, Q27138266 |
|---|---|
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dimethoxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEYWMXGGVZTHDM-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.972 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.403 |
| Compound Name | Clauraila A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 255.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.488708389473684 |
| Inchi | InChI=1S/C15H13NO3/c1-18-10-3-4-11-12-5-9(8-17)6-14(19-2)15(12)16-13(11)7-10/h3-8,16H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C(=CC(=C3)C=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Harmandiana (Plant) Rel Props:Source_db:npass_chem_all