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

Formula:C19H14NO6BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
MolecularFormula	C19H14NO6BrS2
Smiles	OC(CCC(C(O)=O)N(C(/C(/S1)=C/c2ccc(-c(cc3)ccc3Br)o2)=O)C1=S)=O
InChI	InChI=1S/C19H14BrNO6S2/c20-11-3-1-10(2-4-11)14-7-5-12(27-14)9-15-17(24)21(19(28)29-15)13(18(25)26)6-8-16(22)23/h1-5,7,9,13H,6,8H2,(H,22,23)(H,25,26)/t13-/m0/s1
InChIK	WMFXEKLTQGSVET-ZDUSSCGKSA-N
TotalMolweight	496.357
Molweight	496.357
MonoisotopicMass	494.94459
CLogP	2.183
CLogS	-5.6
H Acceptors	7
H Donors	2
TotalSurfaceArea	319.02
Relative PSA	0.4027
PolarSurfaceArea	165.44
Druglikeness	-0.39151
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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

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