[(Z)-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]amino]thiourea
Formula:C7H7N3OF6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]amino]thiourea |
| MolecularFormula | C7H7N3OF6S |
| Smiles | NC(N/N=C(/C1)\COC1(C(F)(F)F)C(F)(F)F)=S |
| InChI | InChI=1S/C7H7F6N3OS/c8-6(9,10)5(7(11,12)13)1-3(2-17-5)15-16-4(14)18/h1-2H2,(H3,14,16,18) |
| InChIK | WMMPKXLSVNHQSQ-UHFFFAOYSA-N |
| TotalMolweight | 295.207 |
| Molweight | 295.207 |
| MonoisotopicMass | 295.0214 |
| CLogP | 1.368 |
| CLogS | -3.568 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 182.51 |
| Relative PSA | 0.41773 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | -10.476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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