N-[(Z)-(2-nitrophenyl)methylideneamino]formamide
Formula:C8H7N3O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]formamide |
| MolecularFormula | C8H7N3O3 |
| Smiles | [O-][N+](c1c(/C=N\NC=O)cccc1)=O |
| InChI | InChI=1S/C8H7N3O3/c12-6-10-9-5-7-3-1-2-4-8(7)11(13)14/h1-6H,(H,10,12) |
| InChIK | KHKHDOACOYRTMQ-UHFFFAOYSA-N |
| TotalMolweight | 193.162 |
| Molweight | 193.162 |
| MonoisotopicMass | 193.048742 |
| CLogP | 0.4654 |
| CLogS | -3.18 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 152.69 |
| Relative PSA | 0.43506 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.0905 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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