(2E)-2-[(3-chlorophenyl)methylidene]cyclohexan-1-one
Formula:C13H13OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(3-chlorophenyl)methylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E)-2-[(3-chlorophenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C13H13OCl |
| Smiles | O=C(CCCC1)/C1=C/c1cccc(Cl)c1 |
| InChI | InChI=1S/C13H13ClO/c14-12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)15/h3-4,6,8-9H,1-2,5,7H2 |
| InChIK | UHBAGVCCVHTJFI-UHFFFAOYSA-N |
| TotalMolweight | 220.698 |
| Molweight | 220.698 |
| MonoisotopicMass | 220.065492 |
| CLogP | 3.6968 |
| CLogS | -3.932 |
| H Acceptors | 1 |
| TotalSurfaceArea | 172.68 |
| Relative PSA | 0.075515 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -7.5119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-[(3-chlorophenyl)methylidene]cyclohexan-1-one | 2 - (2E)-2-[(3-chlorophenyl)methylidene]cyclohexan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off