(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

Formula:C26H16N3O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
MolecularFormulaC26H16N3O4ClS
Smiles[O-][N+](c(cc1)cc(-c2ccc(/C=C(/C(N3c4ccccc4)=O)\S/C3=N\c3ccccc3)o2)c1Cl)=O
InChIInChI=1S/C26H16ClN3O4S/c27-22-13-11-19(30(32)33)15-21(22)23-14-12-20(34-23)16-24-25(31)29(18-9-5-2-6-10-18)26(35-24)28-17-7-3-1-4-8-17/h1-16H
InChIKHDSYDKLRRAAEIJ-UHFFFAOYSA-N
TotalMolweight501.949
Molweight501.949
MonoisotopicMass501.055004
CLogP5.3013
CLogS-8.506
H Acceptors7
TotalSurfaceArea361.04
Relative PSA0.24961
PolarSurfaceArea116.93
Druglikeness-0.69642
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms2
Symmetricatoms4
Amides1
AcidicOxygens1
StereoCon

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