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

Formula:C17H11NO4Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C17H11NO4Cl2S2
Smiles	OC(CCN(C(/C(/S1)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)=O)C1=S)=O
InChI	InChI=1S/C17H11Cl2NO4S2/c18-11-3-1-2-10(15(11)19)12-5-4-9(24-12)8-13-16(23)20(17(25)26-13)7-6-14(21)22/h1-5,8H,6-7H2,(H,21,22)
InChIK	ILADHQHZRKNYRK-UHFFFAOYSA-N
TotalMolweight	428.315
Molweight	428.315
MonoisotopicMass	426.950653
CLogP	3.1324
CLogS	-6.115
H Acceptors	5
H Donors	1
TotalSurfaceArea	294.63
Relative PSA	0.34732
PolarSurfaceArea	128.14
Druglikeness	5.1151
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
AcidicOxygens	1
StereoCon

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

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