3-amino-N-[(Z)-benzylideneamino]-5-nitrobenzamide
Formula:C14H12N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-benzylideneamino]-5-nitrobenzamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-benzylideneamino]-5-nitrobenzamide |
| MolecularFormula | C14H12N4O3 |
| Smiles | Nc1cc(C(N/N=C\c2ccccc2)=O)cc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C14H12N4O3/c15-12-6-11(7-13(8-12)18(20)21)14(19)17-16-9-10-4-2-1-3-5-10/h1-9H,15H2,(H,17,19) |
| InChIK | BQWHFQXMZGGMEG-UHFFFAOYSA-N |
| TotalMolweight | 284.274 |
| Molweight | 284.274 |
| MonoisotopicMass | 284.090941 |
| CLogP | 1.6027 |
| CLogS | -4.257 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 219.18 |
| Relative PSA | 0.37275 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.80875 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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