(5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

Formula:C14H8N2O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
MolecularFormulaC14H8N2O3S3
Smiles[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O
InChIInChI=1S/C14H8N2O3S3/c17-13-12(8-11-2-1-7-21-11)22-14(20)15(13)9-3-5-10(6-4-9)16(18)19/h1-8H
InChIKUOHXVSOHSPLAHS-UHFFFAOYSA-N
TotalMolweight348.427
Molweight348.427
MonoisotopicMass347.969703
CLogP1.8373
CLogS-5.453
H Acceptors5
TotalSurfaceArea242.09
Relative PSA0.46619
PolarSurfaceArea151.76
Druglikeness-1.7011
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.59091
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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