(5E)-5-[(4-bromophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Formula:C17H10N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(4-bromophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[(4-bromophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H10N3O5Br
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)ccc2Br)=O)C1=O)=O
InChI	InChI=1S/C17H10BrN3O5/c18-11-3-1-10(2-4-11)9-14-15(22)19-17(24)20(16(14)23)12-5-7-13(8-6-12)21(25)26/h1-9H,(H,19,22,24)
InChIK	ZVDOSDQSUUIJOP-UHFFFAOYSA-N
TotalMolweight	416.186
Molweight	416.186
MonoisotopicMass	414.980383
CLogP	1.959
CLogS	-5.181
H Acceptors	8
H Donors	1
TotalSurfaceArea	261.54
Relative PSA	0.32328
PolarSurfaceArea	112.3
Druglikeness	-2.1312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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