(5E)-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

Formula:C14H7N3O4Br2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
MolecularFormula	C14H7N3O4Br2S
Smiles	[O-][N+](c1cc(Br)c(-c2ccc(/C=C(\C(N3)=O)/NC3=S)o2)c(Br)c1)=O
InChI	InChI=1S/C14H7Br2N3O4S/c15-8-3-6(19(21)22)4-9(16)12(8)11-2-1-7(23-11)5-10-13(20)18-14(24)17-10/h1-5H,(H2,17,18,20,24)
InChIK	QZAFPMAGGBPCLS-UHFFFAOYSA-N
TotalMolweight	473.101
Molweight	473.101
MonoisotopicMass	470.852399
CLogP	2.6965
CLogS	-6.408
H Acceptors	7
H Donors	2
TotalSurfaceArea	268.23
Relative PSA	0.40447
PolarSurfaceArea	132.18
Druglikeness	-3.6348
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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