(5E)-2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
Formula:C17H19OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one is a drug-like molecule.
| MolName | (5E)-2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one |
| MolecularFormula | C17H19OF |
| Smiles | O=C(C(CC1)C2CCCC2)/C1=C/c(cc1)ccc1F |
| InChI | InChI=1S/C17H19FO/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 | HHAGVJCSKKNXTJ-MRXNPFEDSA-N |
| TotalMolweight | 258.335 |
| Molweight | 258.335 |
| MonoisotopicMass | 258.141993 |
| CLogP | 4.121 |
| CLogS | -4.456 |
| H Acceptors | 1 |
| TotalSurfaceArea | 202.63 |
| Relative PSA | 0.064354 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.0222 |
| 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 |
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