N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dihydroxybenzamide
Formula:C21H17N2O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dihydroxybenzamide |
| MolecularFormula | C21H17N2O4Cl |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H17ClN2O4/c22-16-5-1-15(2-6-16)13-28-18-8-3-14(4-9-18)12-23-24-21(27)19-10-7-17(25)11-20(19)26/h1-12,25-26H,13H2,(H,24,27) |
| InChIK | APARDKKOBKDUJB-UHFFFAOYSA-N |
| TotalMolweight | 396.829 |
| Molweight | 396.829 |
| MonoisotopicMass | 396.087685 |
| CLogP | 4.4643 |
| CLogS | -5.206 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 298.63 |
| Relative PSA | 0.2418 |
| PolarSurfaceArea | 91.15 |
| Druglikeness | 4.0392 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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