3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-nitrobenzamide
Formula:C14H10N4O3Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-nitrobenzamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-nitrobenzamide |
| MolecularFormula | C14H10N4O3Cl2 |
| Smiles | Nc1cc(C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)cc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C14H10Cl2N4O3/c15-10-2-1-8(13(16)5-10)7-18-19-14(21)9-3-11(17)6-12(4-9)20(22)23/h1-7H,17H2,(H,19,21) |
| InChIK | KVKNZQWTYBEHPJ-UHFFFAOYSA-N |
| TotalMolweight | 353.164 |
| Molweight | 353.164 |
| MonoisotopicMass | 352.012995 |
| CLogP | 2.8147 |
| CLogS | -5.729 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.02 |
| Relative PSA | 0.32677 |
| PolarSurfaceArea | 113.3 |
| Druglikeness | -0.7815 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-nitrobenzamide | 2 - 3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-nitrobenzamide
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