4-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile

Formula:C17H8N2OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile is a drug-like molecule.

MolName	4-[(Z)-[3-(3,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
MolecularFormula	C17H8N2OCl2S2
Smiles	N#Cc1ccc(/C=C(/C(N2c(cc3)cc(Cl)c3Cl)=O)\SC2=S)cc1
InChI	InChI=1S/C17H8Cl2N2OS2/c18-13-6-5-12(8-14(13)19)21-16(22)15(24-17(21)23)7-10-1-3-11(9-20)4-2-10/h1-8H
InChIK	FUDAXOLRMKALFF-UHFFFAOYSA-N
TotalMolweight	391.302
Molweight	391.302
MonoisotopicMass	389.945507
CLogP	3.9399
CLogS	-7.228
H Acceptors	3
TotalSurfaceArea	275.03
Relative PSA	0.27502
PolarSurfaceArea	101.49
Druglikeness	-1.4504
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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