ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6510326

Chemical ID:

6510326

Name [?]:

1-oxido-2-(1-oxido-2-pyridyl)-pyridine

SMILES [?]:

c1cc[n+](c(c1)c2cccc[n+]2[O-])[O-]

InChi [?]:

InChI=1/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

InChi Info:

AuxInfo=1/0/N:1,9,2,10,6,8,3,11,5,7,4,12,14,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/CRV:11.5,12.5/rA:14nCCCN+CCCCCCCN+O-O-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₈N₂O₂
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	0

ZAP Information [?]

Total:	-4.94026
Area:	337.53
Solvation:	-13.3785
Coulombic:	-33.293

Bond Count [?]

All:	15
Single:	9
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	188.183
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	0.59
LogP (Chemaxon):	-1.53

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value