Chemical ID: 6045377

c12c([nH]c(nc1=O)N)[nH]c(=O)[nH]2
Chemical ID:
6045377
Name [?]:
2-amino-7,9-dihydro-3H-purine-6,8-dione
SMILES [?]:
c12c([nH]c(nc1=O)N)[nH]c(=O)[nH]2
InChi [?]:
InChI=1/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,10,8,12,3,9,5,7,11/rA:12nCCNCNCONNCON/rB:d1;s2;s3;d4;s1s5;d6;s4;s2;s9;d10;s1s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.20488
Area:304.509
Solvation:-2.40784
Coulombic:-76.0097
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:167.126
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-1.09
LogP (Chemaxon):0.33

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Descriptor Annotations

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