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

Formula:C12H7N2O5BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C12H7N2O5BrS2
Smiles	[O-][N+](c(cc(/C=C(/C(N1CC(O)=O)=O)\SC1=S)cc1)c1Br)=O
InChI	InChI=1S/C12H7BrN2O5S2/c13-7-2-1-6(3-8(7)15(19)20)4-9-11(18)14(5-10(16)17)12(21)22-9/h1-4H,5H2,(H,16,17)
InChIK	PSXXTZOZVKBFHS-UHFFFAOYSA-N
TotalMolweight	403.233
Molweight	403.233
MonoisotopicMass	401.897974
CLogP	0.3307
CLogS	-4.207
H Acceptors	7
H Donors	1
TotalSurfaceArea	242.88
Relative PSA	0.48847
PolarSurfaceArea	160.82
Druglikeness	-8.5342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	1
AcidicOxygens	2
StereoCon

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