Chemical ID: 6918060

c1nc2c(n1CCC(CO)CO)[nH]c(nc2=O)N
Chemical ID:
6918060
Name [?]:
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one
SMILES [?]:
c1nc2c(n1CCC(CO)CO)[nH]c(nc2=O)N
InChi [?]:
InChI=1/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
InChi Info:
AuxInfo=1/1/N:7,6,9,11,1,8,3,4,16,14,18,2,13,15,5,10,12,17/E:(3,4)(16,17)/rA:18nCNCCNCCCCOCONCNCON/rB:d1;s2;d3;s1s4;s5;s6;s7;s8;s9;s8;s11;s4;s13;d14;s3s15;d16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15N5O3
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.35502
Area:439.19
Solvation:-5.62473
Coulombic:-86.2908
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.258
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.75
LogP (Chemaxon):-2.35

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