3,4-dichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
Formula:C14H9N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N3O3Cl2 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c(cc2)cc(Cl)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C14H9Cl2N3O3/c15-12-5-4-10(7-13(12)16)14(20)18-17-8-9-2-1-3-11(6-9)19(21)22/h1-8H,(H,18,20) |
| InChIK | KABIKLUDFMCTNI-UHFFFAOYSA-N |
| TotalMolweight | 338.149 |
| Molweight | 338.149 |
| MonoisotopicMass | 337.002096 |
| CLogP | 3.492 |
| CLogS | -5.653 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.5 |
| Relative PSA | 0.27507 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide | 2 - 3,4-dichloro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
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