N'-[(Z)-(2-aminophenyl)methylideneamino]-N-(4-chloro-3-nitrophenyl)oxamide
Formula:C15H12N5O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-aminophenyl)methylideneamino]-N-(4-chloro-3-nitrophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-aminophenyl)methylideneamino]-N-(4-chloro-3-nitrophenyl)oxamide |
| MolecularFormula | C15H12N5O4Cl |
| Smiles | Nc1c(/C=N\NC(C(Nc(cc2)cc([N+]([O-])=O)c2Cl)=O)=O)cccc1 |
| InChI | InChI=1S/C15H12ClN5O4/c16-11-6-5-10(7-13(11)21(24)25)19-14(22)15(23)20-18-8-9-3-1-2-4-12(9)17/h1-8H,17H2,(H,19,22)(H,20,23) |
| InChIK | KSPXBXZPPWPZCH-UHFFFAOYSA-N |
| TotalMolweight | 361.744 |
| Molweight | 361.744 |
| MonoisotopicMass | 361.057782 |
| CLogP | 1.151 |
| CLogS | -4.797 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 263.81 |
| Relative PSA | 0.40256 |
| PolarSurfaceArea | 142.4 |
| Druglikeness | -1.4205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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