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(5E)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Formula:C24H12N2O5BrClF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
MolName(5E)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
MolecularFormulaC24H12N2O5BrClF4S
Smiles[O-][N+](c(cc(C(F)(F)F)cc1)c1Oc(ccc(/C=C(\C(N1Cc(c(F)ccc2)c2Cl)=O)/SC1=O)c1)c1Br)=O
InChIInChI=1S/C24H12BrClF4N2O5S/c25-15-8-12(4-6-19(15)37-20-7-5-13(24(28,29)30)10-18(20)32(35)36)9-21-22(33)31(23(34)38-21)11-14-16(26)2-1-3-17(14)27/h1-10H,11H2
InChIKXVPWHWGKTDPUAY-UHFFFAOYSA-N
TotalMolweight631.783
Molweight631.783
MonoisotopicMass629.927493
CLogP5.9147
CLogS-9.529
H Acceptors7
TotalSurfaceArea384.57
Relative PSA0.22763
PolarSurfaceArea117.73
Druglikeness-9.6577
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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