1-(1,3-dioxo-1,3-diphenylpropan-2-yl)-2-nitro-1-[[(E)-N'-nitrocarbamimidoyl]amino]guanidine

Formula:C17H16N8O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(1,3-dioxo-1,3-diphenylpropan-2-yl)-2-nitro-1-[[(E)-N'-nitrocarbamimidoyl]amino]guanidine is not a drug-like molecule.

MolName	1-(1,3-dioxo-1,3-diphenylpropan-2-yl)-2-nitro-1-[[(E)-N'-nitrocarbamimidoyl]amino]guanidine
MolecularFormula	C17H16N8O6
Smiles	N/C(/NN(C(C(c1ccccc1)=O)C(c1ccccc1)=O)/C(/N)=N/[N+]([O-])=O)=N\[N+]([O-])=O
InChI	InChI=1S/C17H16N8O6/c18-16(21-24(28)29)20-23(17(19)22-25(30)31)13(14(26)11-7-3-1-4-8-11)15(27)12-9-5-2-6-10-12/h1-10,13H,(H2,19,22)(H3,18,20,21)
InChIK	BHAOHJVGLOLOBN-UHFFFAOYSA-N
TotalMolweight	428.364
Molweight	428.364
MonoisotopicMass	428.119282
CLogP	-1.5984
CLogS	-6.271
H Acceptors	14
H Donors	3
TotalSurfaceArea	313.1
Relative PSA	0.49661
PolarSurfaceArea	217.81
Druglikeness	0.5725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	N-nitro
Shape Index	0.3871
Fragments	1
Non HAtoms	31
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	10
BasicNitrogens	2
AcidicOxygens	2
StereoCon

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1 - 1-(1,3-dioxo-1,3-diphenylpropan-2-yl)-2-nitro-1-[[(E)-N'-nitrocarbamimidoyl]amino]guanidine | 2 - 1-(1,3-dioxo-1,3-diphenylpropan-2-yl)-2-nitro-1-[[(E)-N'-nitrocarbamimidoyl]amino]guanidine

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