(Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-phenylmethanimine
Formula:C14H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-phenylmethanimine |
| MolecularFormula | C14H11N3O2 |
| Smiles | [O-][N+](c1cc(/C=N\N=C/c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C14H11N3O2/c18-17(19)14-8-4-7-13(9-14)11-16-15-10-12-5-2-1-3-6-12/h1-11H |
| InChIK | YMRXKECRZRJHML-UHFFFAOYSA-N |
| TotalMolweight | 253.26 |
| Molweight | 253.26 |
| MonoisotopicMass | 253.085127 |
| CLogP | 3.864 |
| CLogS | -4.592 |
| H Acceptors | 5 |
| TotalSurfaceArea | 206.21 |
| Relative PSA | 0.25915 |
| PolarSurfaceArea | 70.54 |
| Druglikeness | -3.8224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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