Clausine Z
PubChem CID: 11436094
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| Compound Synonyms | Clausine Z, 866111-14-0, 1,6-dihydroxy-9H-carbazole-3-carbaldehyde, Clausine-Z, 1,6-dihydroxy-9h-carbazole-3-carboxaldehyde, CHEMBL1927323, RJB11114, AKOS032961598, FS-9112, CS-0023909, B2703-153294 |
|---|---|
| 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 | 1,6-dihydroxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C13H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKDULSCBYNXNMP-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.377 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.421 |
| Compound Name | Clausine Z |
| 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 | -3.096840152941177 |
| Inchi | InChI=1S/C13H9NO3/c15-6-7-3-10-9-5-8(16)1-2-11(9)14-13(10)12(17)4-7/h1-6,14,16-17H |
| Smiles | C1=CC2=C(C=C1O)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 Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all