4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C17H14N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C17H14N3O4Cl |
| Smiles | OC(c1ccc(/C=N\NC(C(NCc(cc2)ccc2Cl)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H14ClN3O4/c18-14-7-3-11(4-8-14)9-19-15(22)16(23)21-20-10-12-1-5-13(6-2-12)17(24)25/h1-8,10H,9H2,(H,19,22)(H,21,23)(H,24,25) |
| InChIK | ABOSVFCBRNEBQM-UHFFFAOYSA-N |
| TotalMolweight | 359.768 |
| Molweight | 359.768 |
| MonoisotopicMass | 359.067284 |
| CLogP | 1.9444 |
| CLogS | -4.09 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 269.48 |
| Relative PSA | 0.32155 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 3.875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
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