Chemical ID: 6693282

c1[nH]c2c(n1)[nH]cnc2=O
Chemical ID:
6693282
Name [?]:
3,7-dihydropurin-6-one
SMILES [?]:
c1[nH]c2c(n1)[nH]cnc2=O
InChi [?]:
InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,3,4,9,2,5,6,8,10/rA:10nCNCCNNCNCO/rB:s1;s2;d3;d1s4;s4;s6;d7;s3s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.69539
Area:268.707
Solvation:-2.0223
Coulombic:-42.9705
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:136.112
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.23
LogP (Chemaxon):-0.08

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