4-chloro-3-nitro-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
Formula:C14H9N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-3-nitro-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-3-nitro-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N4O5Cl |
| Smiles | [O-][N+](c1c(/C=N\NC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)cccc1)=O |
| InChI | InChI=1S/C14H9ClN4O5/c15-11-6-5-9(7-13(11)19(23)24)14(20)17-16-8-10-3-1-2-4-12(10)18(21)22/h1-8H,(H,17,20) |
| InChIK | VGNBVOGFVFWITJ-UHFFFAOYSA-N |
| TotalMolweight | 348.701 |
| Molweight | 348.701 |
| MonoisotopicMass | 348.026148 |
| CLogP | 1.9644 |
| CLogS | -5.377 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.75 |
| Relative PSA | 0.38779 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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