[(Z)-[amino(1,4-dithian-2-yl)methylidene]amino] 4-(trifluoromethyl)benzenesulfonate
Formula:C12H13N2O3F3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino(1,4-dithian-2-yl)methylidene]amino] 4-(trifluoromethyl)benzenesulfonate is a drug-like molecule.
| MolName | [(Z)-[amino(1,4-dithian-2-yl)methylidene]amino] 4-(trifluoromethyl)benzenesulfonate |
| MolecularFormula | C12H13N2O3F3S3 |
| Smiles | N/C(/C1SCCSC1)=N\OS(c1ccc(C(F)(F)F)cc1)(=O)=O |
| InChI | InChI=1S/C12H13F3N2O3S3/c13-12(14,15)8-1-3-9(4-2-8)23(18,19)20-17-11(16)10-7-21-5-6-22-10/h1-4,10H,5-7H2,(H2,16,17)/t10-/m0/s1 |
| InChIK | JUZNYKUVVBXULG-JTQLQIEISA-N |
| TotalMolweight | 386.438 |
| Molweight | 386.438 |
| MonoisotopicMass | 386.004037 |
| CLogP | 2.9338 |
| CLogS | -3.173 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.05 |
| Relative PSA | 0.40452 |
| PolarSurfaceArea | 140.73 |
| Druglikeness | -12.443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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1 - [(Z)-[amino(1,4-dithian-2-yl)methylidene]amino] 4-(trifluoromethyl)benzenesulfonate | 2 - [(Z)-[amino(1,4-dithian-2-yl)methylidene]amino] 4-(trifluoromethyl)benzenesulfonate
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