(2E)-2-[(4-chlorophenyl)methylidene]-5-cyclopentylcyclopentan-1-one
Formula:C17H19OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-chlorophenyl)methylidene]-5-cyclopentylcyclopentan-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-chlorophenyl)methylidene]-5-cyclopentylcyclopentan-1-one |
| MolecularFormula | C17H19OCl |
| Smiles | O=C(C(CC1)C2CCCC2)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H19ClO/c18-15-8-5-12(6-9-15)11-14-7-10-16(17(14)19)13-3-1-2-4-13/h5-6,8-9,11,13,16H,1-4,7,10H2/t16-/m1/s1 |
| InChIK | ZQIKDWRXSACIAJ-MRXNPFEDSA-N |
| TotalMolweight | 274.79 |
| Molweight | 274.79 |
| MonoisotopicMass | 274.112442 |
| CLogP | 4.6262 |
| CLogS | -4.878 |
| H Acceptors | 1 |
| TotalSurfaceArea | 211.7 |
| Relative PSA | 0.061597 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.6108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-2-[(4-chlorophenyl)methylidene]-5-cyclopentylcyclopentan-1-one | 2 - (2E)-2-[(4-chlorophenyl)methylidene]-5-cyclopentylcyclopentan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off