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

Formula:C18H12N3O4BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(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-(4-nitrophenyl)acetamide
MolecularFormula	C18H12N3O4BrS2
Smiles	[O-][N+](c(cc1)ccc1NC(CN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)=O)=O
InChI	InChI=1S/C18H12BrN3O4S2/c19-12-3-1-2-11(8-12)9-15-17(24)21(18(27)28-15)10-16(23)20-13-4-6-14(7-5-13)22(25)26/h1-9H,10H2,(H,20,23)
InChIK	HVYWPSRBYLBVSG-UHFFFAOYSA-N
TotalMolweight	478.346
Molweight	478.346
MonoisotopicMass	476.945258
CLogP	1.9931
CLogS	-5.706
H Acceptors	7
H Donors	1
TotalSurfaceArea	307.75
Relative PSA	0.38018
PolarSurfaceArea	152.62
Druglikeness	-2.0437
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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