Chemical ID: 5581024

c1[nH]c2c(=O)[nH]cnc2n1
Chemical ID:
5581024
Name [?]:
1,7-dihydropurin-6-one
SMILES [?]:
c1[nH]c2c(=O)[nH]cnc2n1
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:1,7,3,9,4,2,10,8,6,5/rA:10nCNCCONCNCN/rB:s1;s2;s3;d4;s4;s6;d7;d3s8;d1s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.63714
Area:268.494
Solvation:-2.07521
Coulombic:-42.5258
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):-0.79

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Descriptor Annotations

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