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Chemical ID: 4952410
Chemical ID:
4952410
Name [?]:
4-amino-2-hydroxy-pyrimidine-5-carboxylic acid
SMILES [?]:
c1c(c(nc(n1)O)N)C(=O)O
InChi [?]:
InChI=1/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,5,8,6,4,10,11,7/E:(9,10)/rA:11nCCCNCNONCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s2;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H5N3O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.78972 |
Area: | 296.658 |
Solvation: | -2.62671 |
Coulombic: | -71.3328 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.112 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 0.22 |
LogP (Chemaxon): | 0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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