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

Formula:C16H9NO4Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C16H9NO4Cl2S2
Smiles	OC(CN(C(/C(/S1)=C/c2ccc(-c(ccc(Cl)c3)c3Cl)o2)=O)C1=S)=O
InChI	InChI=1S/C16H9Cl2NO4S2/c17-8-1-3-10(11(18)5-8)12-4-2-9(23-12)6-13-15(22)19(7-14(20)21)16(24)25-13/h1-6H,7H2,(H,20,21)
InChIK	DEKAKJMQCBGNOB-UHFFFAOYSA-N
TotalMolweight	414.288
Molweight	414.288
MonoisotopicMass	412.935003
CLogP	2.678
CLogS	-5.845
H Acceptors	5
H Donors	1
TotalSurfaceArea	280.87
Relative PSA	0.36433
PolarSurfaceArea	128.14
Druglikeness	-0.74151
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
AcidicOxygens	1
StereoCon

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

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