Chemical ID: 5740901

Cn1c2c(c(nc1=O)O)[nH]c(n2)NCCO
Chemical ID:
5740901
Name [?]:
6-hydroxy-8-(2-hydroxyethylamino)-3-methyl-7H-purin-2-one
SMILES [?]:
Cn1c2c(c(nc1=O)O)[nH]c(n2)NCCO
InChi [?]:
InChI=1/C8H11N5O3/c1-13-5-4(6(15)12-8(13)16)10-7(11-5)9-2-3-14/h14H,2-3H2,1H3,(H2,9,10,11)(H,12,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,15,4,3,5,11,7,13,10,12,6,2,16,9,8/rA:16nCNCCCNCOONCNNCCO/rB:s1;s2;d3;s4;d5;s2s6;d7;s5;s4;s10;s3d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N5O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.30261
Area:395.97
Solvation:-3.59664
Coulombic:-86.4274
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.205
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-1.53
LogP (Chemaxon):0.83

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