[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
Molecular Formula : C13H11N2O5F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.
MolName : [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate |
MolecularFormula : C13H11N2O5F3 |
Smiles : [O-][N+](c1cccc(/C=C/C(OCC(NCC(F)(F)F)=O)=O)c1)=O |
InChI : InChI=1S/C13H11F3N2O5/c14-13(15,16)8-17-11(19)7-23-12(20)5-4-9-2-1-3-10(6-9)18(21)22/h1-6H,7-8H2,(H,17,19) |
InChIK : BZQNSFNTHNAFHJ-UHFFFAOYSA-N |
TotalMolweight : 332.233 |
Molweight : 332.233 |
MonoisotopicMass : 332.062007 |
CLogP : 0.9545 |
CLogS : -3.394 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 237.37 |
Relative PSA : 0.32843 |
PolarSurfaceArea : 101.22 |
Druglikeness : -11.616 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.65217 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 8 |
Rings Closures : 1 |
Small Rings : 1 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |