N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]formamide
Formula:C8H6N3O3Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]formamide |
| MolecularFormula | C8H6N3O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C8H6ClN3O3/c9-7-2-1-6(4-10-11-5-13)3-8(7)12(14)15/h1-5H,(H,11,13) |
| InChIK | ZKQOFWLDKTUXRE-UHFFFAOYSA-N |
| TotalMolweight | 227.607 |
| Molweight | 227.607 |
| MonoisotopicMass | 227.009769 |
| CLogP | 1.0714 |
| CLogS | -3.916 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 168.11 |
| Relative PSA | 0.39516 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.05 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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