(Z)-3-(3,5-dichloro-2-hydroxycyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile
Formula:C15H20N2O3Cl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(3,5-dichloro-2-hydroxycyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(3,5-dichloro-2-hydroxycyclohexyl)-2-(4-nitrocyclohexyl)prop-2-enenitrile |
| MolecularFormula | C15H20N2O3Cl2 |
| Smiles | N#C/C(/C(CC1)CCC1[N+]([O-])=O)=C\C(CC(CC1Cl)Cl)C1O |
| InChI | InChI=1S/C15H20Cl2N2O3/c16-12-6-10(15(20)14(17)7-12)5-11(8-18)9-1-3-13(4-2-9)19(21)22/h5,9-10,12-15,20H,1-4,6-7H2 |
| InChIK | NUBBBMPTQGNFID-UHFFFAOYSA-N |
| TotalMolweight | 347.241 |
| Molweight | 347.241 |
| MonoisotopicMass | 346.085097 |
| CLogP | 2.4347 |
| CLogS | -4.503 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.34 |
| Relative PSA | 0.2271 |
| PolarSurfaceArea | 89.84 |
| Druglikeness | -10.109 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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