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

Formula:C18H12NO6BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid is a drug-like molecule.

MolName	2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
MolecularFormula	C18H12NO6BrS2
Smiles	OC(CC(C(O)=O)N(C(/C(/S1)=C\c2ccc(-c(cc3)ccc3Br)o2)=O)C1=S)=O
InChI	InChI=1S/C18H12BrNO6S2/c19-10-3-1-9(2-4-10)13-6-5-11(26-13)7-14-16(23)20(18(27)28-14)12(17(24)25)8-15(21)22/h1-7,12H,8H2,(H,21,22)(H,24,25)/t12-/m0/s1
InChIK	KLTFJVAILHPIBO-LBPRGKRZSA-N
TotalMolweight	482.33
Molweight	482.33
MonoisotopicMass	480.92894
CLogP	1.7286
CLogS	-5.33
H Acceptors	7
H Donors	2
TotalSurfaceArea	305.26
Relative PSA	0.42085
PolarSurfaceArea	165.44
Druglikeness	1.0699
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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

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