N'-[(Z)-benzylideneamino]-N-[(4-chlorophenyl)methyl]oxamide
Formula:C16H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-[(4-chlorophenyl)methyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-[(4-chlorophenyl)methyl]oxamide |
| MolecularFormula | C16H14N3O2Cl |
| Smiles | O=C(C(N/N=C\c1ccccc1)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)10-18-15(21)16(22)20-19-11-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,21)(H,20,22) |
| InChIK | YBRJHPVHCYTFIZ-UHFFFAOYSA-N |
| TotalMolweight | 315.759 |
| Molweight | 315.759 |
| MonoisotopicMass | 315.077454 |
| CLogP | 2.4593 |
| CLogS | -4.077 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 245.38 |
| Relative PSA | 0.2466 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-benzylideneamino]-N-[(4-chlorophenyl)methyl]oxamide | 2 - N'-[(Z)-benzylideneamino]-N-[(4-chlorophenyl)methyl]oxamide
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