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

Formula:C21H11N3O6BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-(4-bromophenyl)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5Z)-1-(4-bromophenyl)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H11N3O6BrCl
Smiles	[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=C(/C(NC(N2c(cc3)ccc3Br)=O)=O)\C2=O)o1)=O
InChI	InChI=1S/C21H11BrClN3O6/c22-11-1-3-12(4-2-11)25-20(28)16(19(27)24-21(25)29)10-14-6-8-18(32-14)15-7-5-13(26(30)31)9-17(15)23/h1-10H,(H,24,27,29)
InChIK	YOXKDLULWONOOF-UHFFFAOYSA-N
TotalMolweight	516.69
Molweight	516.69
MonoisotopicMass	514.951975
CLogP	3.5039
CLogS	-7.377
H Acceptors	9
H Donors	1
TotalSurfaceArea	326.41
Relative PSA	0.30226
PolarSurfaceArea	125.44
Druglikeness	-1.1854
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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