(5Z)-5-[[2-[(2-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Formula:C24H15N3O4ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-[(2-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName(5Z)-5-[[2-[(2-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
MolecularFormulaC24H15N3O4ClF3S
SmilesN=C(N(C1=O)c2cc(C(F)(F)F)ccc2)S/C1=C\c(cc(cc1)[N+]([O-])=O)c1OCc(cccc1)c1Cl
InChIInChI=1S/C24H15ClF3N3O4S/c25-19-7-2-1-4-14(19)13-35-20-9-8-18(31(33)34)10-15(20)11-21-22(32)30(23(29)36-21)17-6-3-5-16(12-17)24(26,27)28/h1-12,29H,13H2
InChIKLKLAOALHEAFYBT-UHFFFAOYSA-N
TotalMolweight533.913
Molweight533.913
MonoisotopicMass533.042388
CLogP4.7193
CLogS-7.127
H Acceptors7
H Donors1
TotalSurfaceArea362.15
Relative PSA0.24879
PolarSurfaceArea124.51
Druglikeness-8.8693
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.47222
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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