[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] 3-(trifluoromethyl)benzoate
Formula:C16H11N2O3Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] 3-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C16H11N2O3Cl2F3 |
| Smiles | N/C(/COc(ccc(Cl)c1)c1Cl)=N/OC(c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C16H11Cl2F3N2O3/c17-11-4-5-13(12(18)7-11)25-8-14(22)23-26-15(24)9-2-1-3-10(6-9)16(19,20)21/h1-7H,8H2,(H2,22,23) |
| InChIK | ATJMHZOBCWNZSI-UHFFFAOYSA-N |
| TotalMolweight | 407.174 |
| Molweight | 407.174 |
| MonoisotopicMass | 406.009881 |
| CLogP | 4.7073 |
| CLogS | -5.566 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.32 |
| Relative PSA | 0.21649 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -9.9858 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] 3-(trifluoromethyl)benzoate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino] 3-(trifluoromethyl)benzoate
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