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Chemical ID: 4961815
Chemical ID:
4961815
Name [?]:
2-amino-6-hydroxy-7,9-dihydropurin-8-one
SMILES [?]:
c12c([nH]c(=O)[nH]1)nc(nc2O)N
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:1,2,10,8,4,12,6,7,3,9,11,5/rA:12nCCNCONNCNCON/rB:s1;s2;s3;d4;s1s4;d2;s7;d8;d1s9;s10;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H5N5O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.18065 |
Area: | 306.204 |
Solvation: | -2.47446 |
Coulombic: | -77.7017 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 167.126 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.87 |
LogP (Chemaxon): | 0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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