(Z)-3-(2-chlorocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile
Formula:C15H21N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(2-chlorocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(2-chlorocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile |
| MolecularFormula | C15H21N2O2Cl |
| Smiles | N#C/C(/C(CC1)CCC1[N+]([O-])=O)=C\C(CCCC1)C1Cl |
| InChI | InChI=1S/C15H21ClN2O2/c16-15-4-2-1-3-12(15)9-13(10-17)11-5-7-14(8-6-11)18(19)20/h9,11-12,14-15H,1-8H2/b13-9+ |
| InChIK | QQBNYXCYVQBZJE-UKTHLTGXSA-N |
| TotalMolweight | 296.797 |
| Molweight | 296.797 |
| MonoisotopicMass | 296.129155 |
| CLogP | 3.0018 |
| CLogS | -4.575 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.09 |
| Relative PSA | 0.1895 |
| PolarSurfaceArea | 69.61 |
| Druglikeness | -14.724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (Z)-3-(2-chlorocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile | 2 - (Z)-3-(2-chlorocyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off