(Z)-2-(2-nitrophenyl)-3-phenylprop-2-enenitrile
Formula:C15H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-(2-nitrophenyl)-3-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(2-nitrophenyl)-3-phenylprop-2-enenitrile |
| MolecularFormula | C15H10N2O2 |
| Smiles | N#C/C(/c(cccc1)c1[N+]([O-])=O)=C\c1ccccc1 |
| InChI | InChI=1S/C15H10N2O2/c16-11-13(10-12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(18)19/h1-10H |
| InChIK | QPOKESDOJWYPOO-UHFFFAOYSA-N |
| TotalMolweight | 250.256 |
| Molweight | 250.256 |
| MonoisotopicMass | 250.074228 |
| CLogP | 2.411 |
| CLogS | -4.089 |
| H Acceptors | 4 |
| TotalSurfaceArea | 203.11 |
| Relative PSA | 0.21653 |
| PolarSurfaceArea | 69.61 |
| Druglikeness | -10.238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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