(5Z)-1-(1,3-benzodioxol-5-yl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C23H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(1,3-benzodioxol-5-yl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5Z)-1-(1,3-benzodioxol-5-yl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C23H14N4O8
Smiles	[O-][N+](c(cc1)cnc1Oc1ccc(/C=C(/C(NC(N2c(cc3)cc4c3OCO4)=O)=O)\C2=O)cc1)=O
InChI	InChI=1S/C23H14N4O8/c28-21-17(22(29)26(23(30)25-21)14-3-7-18-19(10-14)34-12-33-18)9-13-1-5-16(6-2-13)35-20-8-4-15(11-24-20)27(31)32/h1-11H,12H2,(H,25,28,30)
InChIK	MLHAUFHHASTRJO-UHFFFAOYSA-N
TotalMolweight	474.384
Molweight	474.384
MonoisotopicMass	474.081166
CLogP	2.0913
CLogS	-7.085
H Acceptors	12
H Donors	1
TotalSurfaceArea	331.69
Relative PSA	0.37843
PolarSurfaceArea	152.88
Druglikeness	-0.36589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5Z)-1-(1,3-benzodioxol-5-yl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(1,3-benzodioxol-5-yl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione

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