2-[(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C16H9NO4BrClS3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C16H9NO4BrClS3
Smiles	OC(CN(C(/C(/S1)=C/c(o2)cc(Br)c2Sc(cc2)ccc2Cl)=O)C1=S)=O
InChI	InChI=1S/C16H9BrClNO4S3/c17-11-5-9(23-15(11)25-10-3-1-8(18)2-4-10)6-12-14(22)19(7-13(20)21)16(24)26-12/h1-6H,7H2,(H,20,21)
InChIK	OHINFMDNBJJADN-UHFFFAOYSA-N
TotalMolweight	490.805
Molweight	490.805
MonoisotopicMass	488.856557
CLogP	2.9655
CLogS	-5.714
H Acceptors	5
H Donors	1
TotalSurfaceArea	301.57
Relative PSA	0.39732
PolarSurfaceArea	153.44
Druglikeness	-6.9982
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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