4-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile

Formula:C21H12N2O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	4-[5-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile
MolecularFormula	C21H12N2O2S2
Smiles	N#Cc(cc1)ccc1-c1ccc(/C=C(\C(N2c3ccccc3)=O)/SC2=S)o1
InChI	InChI=1S/C21H12N2O2S2/c22-13-14-6-8-15(9-7-14)18-11-10-17(25-18)12-19-20(24)23(21(26)27-19)16-4-2-1-3-5-16/h1-12H
InChIK	GATNLKUOHAKGBZ-UHFFFAOYSA-N
TotalMolweight	388.47
Molweight	388.47
MonoisotopicMass	388.034018
CLogP	3.6668
CLogS	-7.216
H Acceptors	4
TotalSurfaceArea	293.64
Relative PSA	0.30565
PolarSurfaceArea	114.63
Druglikeness	-0.515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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