(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butanenitrile
Formula:C10H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-nitrophenyl)hydrazinylidene]butanenitrile is a drug-like molecule.
| MolName | (4Z)-4-[(4-nitrophenyl)hydrazinylidene]butanenitrile |
| MolecularFormula | C10H10N4O2 |
| Smiles | N#CCC/C=N\Nc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C10H10N4O2/c11-7-1-2-8-12-13-9-3-5-10(6-4-9)14(15)16/h3-6,8,13H,1-2H2 |
| InChIK | KHCCCBRWMGFACN-UHFFFAOYSA-N |
| TotalMolweight | 218.215 |
| Molweight | 218.215 |
| MonoisotopicMass | 218.080376 |
| CLogP | 2.319 |
| CLogS | -3.049 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 182.38 |
| Relative PSA | 0.36709 |
| PolarSurfaceArea | 94 |
| Druglikeness | -14.031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.8125 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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