4'-Chloroaurone
PubChem CID: 5467625
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| Compound Synonyms | 4'-Chloroaurone, NSC657004, CHEMBL596254, (2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one, 4'-Chloro-aurone, SCHEMBL19462898, BDBM50363411, LMPK12130023, NSC-657004, (2Z)-2-[(4-chlorophenyl)methylene]benzofuran-3-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P27338, P21397, Q969S8, P03468 |
| Iupac Name | (2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT582, NPT261 |
| Xlogp | 4.2 |
| Molecular Formula | C15H9ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIWJNEVCSMZRGO-ZROIWOOFSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.331 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.745 |
| Compound Name | 4'-Chloroaurone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.029 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.029 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.68 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.523698933333334 |
| Inchi | InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h1-9H/b14-9- |
| Smiles | C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC=C(C=C3)Cl)/O2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Drynaria Quercifolia (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salacia Fruticosa (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all