Chemical ID: 3965271

c1nc2c(=O)[nH]c(nc2n1COCCO)N
Chemical ID:
3965271
Name [?]:
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
SMILES [?]:
c1nc2c(=O)[nH]c(nc2n1COCCO)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:14,13,1,11,3,9,4,7,16,2,8,6,10,15,5,12/rA:16nCNCCONCNCNCOCCON/rB:d1;s2;s3;d4;s4;s6;d7;d3s8;s1s9;s10;s11;s12;s13;s14;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N5O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.02259
Area:402.606
Solvation:-5.04257
Coulombic:-78.3104
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:-1.65
LogP (Chemaxon):-0.7

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