[(Z)-(1-amino-2-chloroethylidene)amino] 4-(trifluoromethyl)benzoate
Molecular Formula : C10H8N2O2ClF3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |[(Z)-(1-amino-2-chloroethylidene)amino] 4-(trifluoromethyl)benzoate is a drug-like molecule.
MolName : [(Z)-(1-amino-2-chloroethylidene)amino] 4-(trifluoromethyl)benzoate |
MolecularFormula : C10H8N2O2ClF3 |
Smiles : N/C(/CCl)=N\OC(c1ccc(C(F)(F)F)cc1)=O |
InChI : InChI=1S/C10H8ClF3N2O2/c11-5-8(15)16-18-9(17)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2,(H2,15,16) |
InChIK : YDYUMNDJSVVPRF-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 : 0.66667 |
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 : 4 |
StereoCon : |