(5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Formula:C20H12N3O7Br Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H12N3O7Br
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C(/C(NC(N2Cc3ccco3)=O)=O)\C2=O)o1)=O
InChI	InChI=1S/C20H12BrN3O7/c21-16-8-11(24(28)29)3-5-14(16)17-6-4-12(31-17)9-15-18(25)22-20(27)23(19(15)26)10-13-2-1-7-30-13/h1-9H,10H2,(H,22,25,27)
InChIK	XJCSUGVDBYKWMV-UHFFFAOYSA-N
TotalMolweight	486.233
Molweight	486.233
MonoisotopicMass	484.985863
CLogP	2.0095
CLogS	-5.801
H Acceptors	10
H Donors	1
TotalSurfaceArea	314.44
Relative PSA	0.35864
PolarSurfaceArea	138.58
Druglikeness	-0.51461
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - (5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione | 2 - (5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

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