Chemical ID: 4259753

c1[nH]c2c(n1)c(=O)[nH]cn2
Chemical ID:
4259753
Name [?]:
1,9-dihydropurin-6-one
SMILES [?]:
c1[nH]c2c(n1)c(=O)[nH]cn2
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:1,9,4,3,6,5,2,10,8,7/rA:10nCNCCNCONCN/rB:s1;s2;d3;d1s4;s4;d6;s6;s8;s3d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.56316
Area:268.621
Solvation:-2.15238
Coulombic:-42.2882
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:-0.87
LogP (Chemaxon):-0.83

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Descriptor Annotations

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