1-chloro-2-[(E)-3-nitroprop-1-enyl]cyclohexene
Formula:C9H12NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-chloro-2-[(E)-3-nitroprop-1-enyl]cyclohexene is a drug-like molecule.
| MolName | 1-chloro-2-[(E)-3-nitroprop-1-enyl]cyclohexene |
| MolecularFormula | C9H12NO2Cl |
| Smiles | [O-][N+](C/C=C/C(CCCC1)=C1Cl)=O |
| InChI | InChI=1S/C9H12ClNO2/c10-9-6-2-1-4-8(9)5-3-7-11(12)13/h3,5H,1-2,4,6-7H2 |
| InChIK | OWXOCSVJUVBZKO-UHFFFAOYSA-N |
| TotalMolweight | 201.652 |
| Molweight | 201.652 |
| MonoisotopicMass | 201.055656 |
| CLogP | 1.7609 |
| CLogS | -2.969 |
| H Acceptors | 3 |
| TotalSurfaceArea | 157.31 |
| Relative PSA | 0.19338 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -10.963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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