[(E)-[amino(1,4-dithian-2-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C13H14N3O2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(1,4-dithian-2-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[amino(1,4-dithian-2-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C13H14N3O2F3S2 |
| Smiles | N/C(/C1SCCSC1)=N/OC(Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C13H14F3N3O2S2/c14-13(15,16)8-2-1-3-9(6-8)18-12(20)21-19-11(17)10-7-22-4-5-23-10/h1-3,6,10H,4-5,7H2,(H2,17,19)(H,18,20)/t10-/m0/s1 |
| InChIK | MGOHAVHOSZEZKW-JTQLQIEISA-N |
| TotalMolweight | 365.399 |
| Molweight | 365.399 |
| MonoisotopicMass | 365.047951 |
| CLogP | 2.7032 |
| CLogS | -4.616 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.68 |
| Relative PSA | 0.38708 |
| PolarSurfaceArea | 127.31 |
| Druglikeness | -18.408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(E)-[amino(1,4-dithian-2-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate | 2 - [(E)-[amino(1,4-dithian-2-yl)methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
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