(Z)-3-(4-chlorophenyl)-2-(2-nitrophenyl)prop-2-enenitrile
Formula:C15H9N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(4-chlorophenyl)-2-(2-nitrophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-chlorophenyl)-2-(2-nitrophenyl)prop-2-enenitrile |
| MolecularFormula | C15H9N2O2Cl |
| Smiles | N#C/C(/c(cccc1)c1[N+]([O-])=O)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H9ClN2O2/c16-13-7-5-11(6-8-13)9-12(10-17)14-3-1-2-4-15(14)18(19)20/h1-9H |
| InChIK | KXNKOMTWVFRDCO-UHFFFAOYSA-N |
| TotalMolweight | 284.701 |
| Molweight | 284.701 |
| MonoisotopicMass | 284.035255 |
| CLogP | 3.017 |
| CLogS | -4.825 |
| H Acceptors | 4 |
| TotalSurfaceArea | 218.53 |
| Relative PSA | 0.20125 |
| PolarSurfaceArea | 69.61 |
| Druglikeness | -10.108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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