(E)-[(3-nitrophenyl)-phenylmethylidene]hydrazine
Formula:C13H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-[(3-nitrophenyl)-phenylmethylidene]hydrazine is a drug-like molecule.
| MolName | (E)-[(3-nitrophenyl)-phenylmethylidene]hydrazine |
| MolecularFormula | C13H11N3O2 |
| Smiles | N/N=C(\c1ccccc1)/c1cccc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C13H11N3O2/c14-15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)16(17)18/h1-9H,14H2 |
| InChIK | KLZKXERXMDLQPW-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 1.8419 |
| CLogS | -4.629 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 188.18 |
| Relative PSA | 0.30396 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -8.0275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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