[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino] thiophene-3-carboxylate
Formula:C13H8NO3F3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino] thiophene-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino] thiophene-3-carboxylate |
| MolecularFormula | C13H8NO3F3S |
| Smiles | O=C(c1cscc1)O/N=C\c(cccc1)c1OC(F)(F)F |
| InChI | InChI=1S/C13H8F3NO3S/c14-13(15,16)19-11-4-2-1-3-9(11)7-17-20-12(18)10-5-6-21-8-10/h1-8H |
| InChIK | QMGDZIQYOKGNOI-UHFFFAOYSA-N |
| TotalMolweight | 315.271 |
| Molweight | 315.271 |
| MonoisotopicMass | 315.017698 |
| CLogP | 4.8015 |
| CLogS | -4.694 |
| H Acceptors | 4 |
| TotalSurfaceArea | 220.93 |
| Relative PSA | 0.2938 |
| PolarSurfaceArea | 76.13 |
| Druglikeness | -9.8214 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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