| MolName | 7-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethoxy]-4-phenylchromen-2-one |
| MolecularFormula | C23H16NO4Cl |
| Smiles | O/N=C(\COc(cc1)cc(O2)c1C(c1ccccc1)=CC2=O)/c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16ClNO4/c24-17-8-6-16(7-9-17)21(25-27)14-28-18-10-11-19-20(15-4-2-1-3-5-15)13-23(26)29-22(19)12-18/h1-13,27H,14H2 |
| InChIK | AQSZWBJLOQHWKK-UHFFFAOYSA-N |
| TotalMolweight | 405.836 |
| Molweight | 405.836 |
| MonoisotopicMass | 405.076786 |
| CLogP | 5.1128 |
| CLogS | -6.32 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.24 |
| Relative PSA | 0.19201 |
| PolarSurfaceArea | 68.12 |
| Druglikeness | -2.4577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 7-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethoxy]-4-phenylchromen-2-one | 2 - 7-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethoxy]-4-phenylchromen-2-one