[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H15N2O4Cl |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C21H15ClN2O4/c22-17-9-5-15(6-10-17)21(27)28-19-4-2-1-3-16(19)13-23-24-20(26)14-7-11-18(25)12-8-14/h1-13,25H,(H,24,26) |
| InChIK | QBMNLZBFFZRKHF-UHFFFAOYSA-N |
| TotalMolweight | 394.813 |
| Molweight | 394.813 |
| MonoisotopicMass | 394.072035 |
| CLogP | 4.8924 |
| CLogS | -5.631 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 296.27 |
| Relative PSA | 0.24353 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.0444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| 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 | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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