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

Formula:C17H11N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[(4-hydroxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H11N3O6
Smiles	[O-][N+](c1cc(N(C(/C(/C(N2)=O)=C/c(cc3)ccc3O)=O)C2=O)ccc1)=O
InChI	InChI=1S/C17H11N3O6/c21-13-6-4-10(5-7-13)8-14-15(22)18-17(24)19(16(14)23)11-2-1-3-12(9-11)20(25)26/h1-9,21H,(H,18,22,24)
InChIK	RQKHFVHRKDHADD-UHFFFAOYSA-N
TotalMolweight	353.289
Molweight	353.289
MonoisotopicMass	353.064787
CLogP	0.8881
CLogS	-4.051
H Acceptors	9
H Donors	2
TotalSurfaceArea	249.26
Relative PSA	0.39176
PolarSurfaceArea	132.53
Druglikeness	-0.32365
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.53846
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	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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