(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Molecular Formula : C24H13N3O5ClFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
MolName : (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione |
MolecularFormula : C24H13N3O5ClFS |
Smiles : [O-][N+](c1cccc(C(/C(/C(C2=O)=O)=C(/c(cc3)ccc3Cl)\O)N2c2nc(ccc(F)c3)c3s2)c1)=O |
InChI : InChI=1S/C24H13ClFN3O5S/c25-14-6-4-12(5-7-14)21(30)19-20(13-2-1-3-16(10-13)29(33)34)28(23(32)22(19)31)24-27-17-9-8-15(26)11-18(17)35-24/h1-11,20,30H/t20-/m1/s1 |
InChIK : AKDSEZVMESMNMA-HXUWFJFHSA-N |
TotalMolweight : 509.9 |
Molweight : 509.9 |
MonoisotopicMass : 509.024847 |
CLogP : 4.0219 |
CLogS : -6.47 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 341.59 |
Relative PSA : 0.30586 |
PolarSurfaceArea : 144.56 |
Druglikeness : -6.5045 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.42857 |
Fragments : 1 |
Non HAtoms : 35 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 21 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : racemate |