[(E)-[amino(phenyl)methylidene]amino] 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Formula:C19H13N2O2F3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate |
| MolecularFormula | C19H13N2O2F3S |
| Smiles | N/C(/c1ccccc1)=N/OC(c1cc(-c2ccccc2)c(C(F)(F)F)s1)=O |
| InChI | InChI=1S/C19H13F3N2O2S/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(27-16)18(25)26-24-17(23)13-9-5-2-6-10-13/h1-11H,(H2,23,24) |
| InChIK | DZCNXBIISFNJIW-UHFFFAOYSA-N |
| TotalMolweight | 390.384 |
| Molweight | 390.384 |
| MonoisotopicMass | 390.064982 |
| CLogP | 5.5284 |
| CLogS | -6.52 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.42 |
| Relative PSA | 0.25297 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -7.7086 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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