[(E)-[1-amino-2-(2,4-difluorophenyl)ethylidene]amino] 3-(trifluoromethyl)benzoate
Formula:C16H11N2O2F5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(2,4-difluorophenyl)ethylidene]amino] 3-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-difluorophenyl)ethylidene]amino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C16H11N2O2F5 |
| Smiles | N/C(/Cc(ccc(F)c1)c1F)=N/OC(c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C16H11F5N2O2/c17-12-5-4-9(13(18)8-12)7-14(22)23-25-15(24)10-2-1-3-11(6-10)16(19,20)21/h1-6,8H,7H2,(H2,22,23) |
| InChIK | OPVOBTHCDJLBPT-UHFFFAOYSA-N |
| TotalMolweight | 358.265 |
| Molweight | 358.265 |
| MonoisotopicMass | 358.074068 |
| CLogP | 4.1201 |
| CLogS | -4.907 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.18 |
| Relative PSA | 0.20074 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -10.019 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-difluorophenyl)ethylidene]amino] 3-(trifluoromethyl)benzoate | 2 - [(E)-[1-amino-2-(2,4-difluorophenyl)ethylidene]amino] 3-(trifluoromethyl)benzoate
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