(5Z)-10-phenylsulfanylcyclodec-5-en-1-one
Formula:C16H20OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-10-phenylsulfanylcyclodec-5-en-1-one is a drug-like molecule.
| MolName | (5Z)-10-phenylsulfanylcyclodec-5-en-1-one |
| MolecularFormula | C16H20OS |
| Smiles | O=C(CCC/C=C\CCC1)C1Sc1ccccc1 |
| InChI | InChI=1S/C16H20OS/c17-15-12-8-3-1-2-4-9-13-16(15)18-14-10-6-5-7-11-14/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2/t16-/m0/s1 |
| InChIK | ZKBWYACTIRITFF-INIZCTEOSA-N |
| TotalMolweight | 260.4 |
| Molweight | 260.4 |
| MonoisotopicMass | 260.123485 |
| CLogP | 4.8474 |
| CLogS | -4.292 |
| H Acceptors | 1 |
| TotalSurfaceArea | 216.56 |
| Relative PSA | 0.14098 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | -6.0564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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