Chemical ID: 3965270

c1nc2c(n1COCCO)[nH]c(nc2=O)N
Chemical ID:
3965270
Name [?]:
2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
SMILES [?]:
c1nc2c(n1COCCO)[nH]c(nc2=O)N
InChi [?]:
InChI=1/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChi Info:
AuxInfo=1/1/N:9,8,1,6,3,4,14,12,16,2,11,13,5,10,15,7/rA:16nCNCCNCOCCONCNCON/rB:d1;s2;d3;s1s4;s5;s6;s7;s8;s9;s4;s11;d12;s3s13;d14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N5O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.75465
Area:403.461
Solvation:-5.33188
Coulombic:-78.5205
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.205
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.69
LogP (Chemaxon):-1.95

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