Chemical ID: 7243648

Cn1cnc2c1c(=O)n(c(=O)n2C)CC(=O)O
Chemical ID:
7243648
Name [?]:
2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid
SMILES [?]:
Cn1cnc2c1c(=O)n(c(=O)n2C)CC(=O)O
InChi [?]:
InChI=1/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,13,14,3,15,6,5,7,10,4,2,12,9,16,17,8,11/E:(14,15)/rA:17nCNCNCCCONCONCCCOO/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;d10;s5s10;s12;s9;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N4O4
All Atoms:27
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:6.4377
Area:385.001
Solvation:-3.18732
Coulombic:-72.5574
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-1.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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