(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Molecular Formula : C24H14N2O5ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is not a drug-like molecule.
MolName : (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione |
MolecularFormula : C24H14N2O5ClF3 |
Smiles : [O-][N+](c1cccc(C(/C(/C(C2=O)=O)=C(/c(cc3)ccc3Cl)\O)N2c2cc(C(F)(F)F)ccc2)c1)=O |
InChI : InChI=1S/C24H14ClF3N2O5/c25-16-9-7-13(8-10-16)21(31)19-20(14-3-1-6-18(11-14)30(34)35)29(23(33)22(19)32)17-5-2-4-15(12-17)24(26,27)28/h1-12,20,31H/t20-/m1/s1 |
InChIK : AZKVQXXTGDGOGP-HXUWFJFHSA-N |
TotalMolweight : 502.831 |
Molweight : 502.831 |
MonoisotopicMass : 502.054334 |
CLogP : 3.967 |
CLogS : -5.967 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 335.4 |
Relative PSA : 0.2181 |
PolarSurfaceArea : 103.43 |
Druglikeness : -12.823 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.4 |
Fragments : 1 |
Non HAtoms : 35 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 4 |
Symmetricatoms : 4 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : racemate |