[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] thiadiazole-4-carboxylate
Formula:C11H7N4O2F3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] thiadiazole-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] thiadiazole-4-carboxylate |
| MolecularFormula | C11H7N4O2F3S |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=N/OC(c1csnn1)=O |
| InChI | InChI=1S/C11H7F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9(15)17-20-10(19)8-5-21-18-16-8/h1-5H,(H2,15,17) |
| InChIK | MDXBEQCLQHEBTJ-UHFFFAOYSA-N |
| TotalMolweight | 316.263 |
| Molweight | 316.263 |
| MonoisotopicMass | 316.02418 |
| CLogP | 2.9052 |
| CLogS | -3.975 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 215.18 |
| Relative PSA | 0.42811 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | -12.707 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] thiadiazole-4-carboxylate | 2 - [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] thiadiazole-4-carboxylate
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