[(E)-(1-amino-2-chloroethylidene)amino] 3-(trifluoromethyl)benzoate
Formula:C10H8N2O2ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-chloroethylidene)amino] 3-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-chloroethylidene)amino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C10H8N2O2ClF3 |
| Smiles | N/C(/CCl)=N/OC(c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C10H8ClF3N2O2/c11-5-8(15)16-18-9(17)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2,(H2,15,16) |
| InChIK | ZKYPRXCDLJABBD-UHFFFAOYSA-N |
| TotalMolweight | 280.633 |
| Molweight | 280.633 |
| MonoisotopicMass | 280.022639 |
| CLogP | 2.7059 |
| CLogS | -3.545 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 191.14 |
| Relative PSA | 0.26065 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -10.004 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-(1-amino-2-chloroethylidene)amino] 3-(trifluoromethyl)benzoate | 2 - [(E)-(1-amino-2-chloroethylidene)amino] 3-(trifluoromethyl)benzoate
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