[4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C30H23N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C30H23N2O4Cl |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(c(cc2)ccc2OCc(cc2)ccc2Cl)=O)cc1 |
| InChI | InChI=1S/C30H23ClN2O4/c31-26-13-6-24(7-14-26)21-36-27-17-11-25(12-18-27)30(35)33-32-20-23-8-15-28(16-9-23)37-29(34)19-10-22-4-2-1-3-5-22/h1-20H,21H2,(H,33,35) |
| InChIK | LVMUKMVJVOTAGO-UHFFFAOYSA-N |
| TotalMolweight | 510.976 |
| Molweight | 510.976 |
| MonoisotopicMass | 510.134635 |
| CLogP | 6.9154 |
| CLogS | -7.638 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 399.94 |
| Relative PSA | 0.17265 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.7565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72973 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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