2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide

Formula:C18H12N3O5BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide is a drug-like molecule.

MolName	2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
MolecularFormula	C18H12N3O5BrS2
Smiles	[O-][N+](c(cc1)cc(O)c1NC(CN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)=O)=O
InChI	InChI=1S/C18H12BrN3O5S2/c19-11-3-1-2-10(6-11)7-15-17(25)21(18(28)29-15)9-16(24)20-13-5-4-12(22(26)27)8-14(13)23/h1-8,23H,9H2,(H,20,24)
InChIK	ODPVNIAPCCUMIR-UHFFFAOYSA-N
TotalMolweight	494.345
Molweight	494.345
MonoisotopicMass	492.940173
CLogP	1.6474
CLogS	-5.41
H Acceptors	8
H Donors	2
TotalSurfaceArea	314.1
Relative PSA	0.4142
PolarSurfaceArea	172.85
Druglikeness	-2.0231
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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