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Chemical ID: 7134884
Chemical ID:
7134884
Name [?]:
2-amino-1,7-dihydropurin-6-one
SMILES [?]:
c1[nH]c2c(=O)[nH]c(nc2n1)N
InChi [?]:
InChI=1/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,9,4,7,11,2,10,8,6,5/rA:11nCNCCONCNCNN/rB:s1;s2;s3;d4;s4;s6;d7;d3s8;d1s9;s7;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H5N5O |
All Atoms: | 16 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.20976 |
Area: | 287.91 |
Solvation: | -1.98799 |
Coulombic: | -59.3699 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 151.126 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | -1.19 |
LogP (Chemaxon): | -0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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