[(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate
Formula:C17H11N2O2F3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate |
| MolecularFormula | C17H11N2O2F3S2 |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=N\OC(c1ccc(-c2cccs2)s1)=O |
| InChI | InChI=1S/C17H11F3N2O2S2/c18-17(19,20)11-5-3-10(4-6-11)15(21)22-24-16(23)14-8-7-13(26-14)12-2-1-9-25-12/h1-9H,(H2,21,22) |
| InChIK | NLGUGJFMARHWAY-UHFFFAOYSA-N |
| TotalMolweight | 396.412 |
| Molweight | 396.412 |
| MonoisotopicMass | 396.021402 |
| CLogP | 5.7088 |
| CLogS | -6.352 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.36 |
| Relative PSA | 0.33121 |
| PolarSurfaceArea | 121.16 |
| Druglikeness | -7.055 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate | 2 - [(Z)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate
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