6-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C20H17NO4Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.

MolName	6-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C20H17NO4Cl2S2
Smiles	OC(CCCCCN(C(/C(/S1)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)=O)C1=S)=O
InChI	InChI=1S/C20H17Cl2NO4S2/c21-14-6-4-5-13(18(14)22)15-9-8-12(27-15)11-16-19(26)23(20(28)29-16)10-3-1-2-7-17(24)25/h4-6,8-9,11H,1-3,7,10H2,(H,24,25)
InChIK	JFCMEOMEJHOCMZ-UHFFFAOYSA-N
TotalMolweight	470.396
Molweight	470.396
MonoisotopicMass	468.997603
CLogP	4.4956
CLogS	-6.925
H Acceptors	5
H Donors	1
TotalSurfaceArea	335.91
Relative PSA	0.30464
PolarSurfaceArea	128.14
Druglikeness	-4.4742
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Amides	1
AcidicOxygens	1
StereoCon

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1 - 6-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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