(5Z)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-4-one
Formula:C11H7N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-4-one |
| MolecularFormula | C11H7N2OF3S |
| Smiles | O=C(/C(/N1)=C/c2ccc(C(F)(F)F)cc2)NC1=S |
| InChI | InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(18)15-8/h1-5H,(H2,15,16,17,18) |
| InChIK | DJGCCCQCAGKOLL-UHFFFAOYSA-N |
| TotalMolweight | 272.25 |
| Molweight | 272.25 |
| MonoisotopicMass | 272.023117 |
| CLogP | 2.0771 |
| CLogS | -3.598 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 187.31 |
| Relative PSA | 0.34147 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -5.0695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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