S-[3,5-bis(trifluoromethyl)phenyl] N-[(E)-2-thiophen-3-ylethenyl]carbamothioate
Formula:C15H9NOF6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
S-[3,5-bis(trifluoromethyl)phenyl] N-[(E)-2-thiophen-3-ylethenyl]carbamothioate is a drug-like molecule.
| MolName | S-[3,5-bis(trifluoromethyl)phenyl] N-[(E)-2-thiophen-3-ylethenyl]carbamothioate |
| MolecularFormula | C15H9NOF6S2 |
| Smiles | O=C(N/C=C/c1cscc1)Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H9F6NOS2/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)25-13(23)22-3-1-9-2-4-24-8-9/h1-8H,(H,22,23) |
| InChIK | JRDBYXFLXLPPML-UHFFFAOYSA-N |
| TotalMolweight | 397.362 |
| Molweight | 397.362 |
| MonoisotopicMass | 397.002972 |
| CLogP | 4.9844 |
| CLogS | -6.074 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 261.08 |
| Relative PSA | 0.23882 |
| PolarSurfaceArea | 82.64 |
| Druglikeness | -6.495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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