ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7690547

Chemical ID:

7690547

Name [?]:

None

SMILES [?]:

CCN(CC)c1nc(nc(n1)N)c2nc(on2)C

InChi [?]:

InChI=1/C10H15N7O/c1-4-17(5-2)10-14-7(13-9(11)15-10)8-12-6(3)18-16-8/h4-5H2,1-3H3,(H2,11,13,14,15)

InChi Info:

AuxInfo=1/1/N:1,5,18,2,4,15,8,13,10,6,12,14,9,7,11,17,3,16/E:(1,2)(4,5)/rA:18nCCNCCCNCNCNNCNCONC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s8;s13;d14;s15;d13s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₅N₇O
All Atoms:	33
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	9.48681
Area:	446.229
Solvation:	-1.66892
Coulombic:	-54.3924

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.05
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value