(E)-2-[[5-[[(E)-2-diazonio-1-hydroxyethenoxy]methyl]-3,6-dioxopiperazin-2-yl]methoxy]-2-hydroxyethenediazonium

Formula:C10H12N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[[5-[[(E)-2-diazonio-1-hydroxyethenoxy]methyl]-3,6-dioxopiperazin-2-yl]methoxy]-2-hydroxyethenediazonium is not a drug-like molecule.

MolName	(E)-2-[[5-[[(E)-2-diazonio-1-hydroxyethenoxy]methyl]-3,6-dioxopiperazin-2-yl]methoxy]-2-hydroxyethenediazonium
MolecularFormula	C10H12N6O6
Smiles	N#[N+]/C=C(\O)/OCC(C(NC1CO/C(/O)=C/[N+]#N)=O)NC1=O
InChI	InChI=1S/C10H10N6O6/c11-13-1-7(17)21-3-5-9(19)16-6(10(20)15-5)4-22-8(18)2-14-12/h1-2,5-6H,3-4H2,(H2-2,15,16,17,18,19,20)/p+2
InChIK	KVSFAGBSJZTVGX-UHFFFAOYSA-P
TotalMolweight	312.241
Molweight	312.241
MonoisotopicMass	312.081834
CLogP	-3.4092
CLogS	-3.194
H Acceptors	12
H Donors	4
TotalSurfaceArea	242.2
Relative PSA	0.65169
PolarSurfaceArea	173.42
Druglikeness	1.2994
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	2
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Sp3Atoms	8
Symmetricatoms	11
Amides	2
StereoCon	unknown chirality

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1 - (E)-2-[[5-[[(E)-2-diazonio-1-hydroxyethenoxy]methyl]-3,6-dioxopiperazin-2-yl]methoxy]-2-hydroxyethenediazonium | 2 - (E)-2-[[5-[[(E)-2-diazonio-1-hydroxyethenoxy]methyl]-3,6-dioxopiperazin-2-yl]methoxy]-2-hydroxyethenediazonium

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