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Chemical ID: 4518829
Chemical ID:
4518829
Name [?]:
2,6-dioxohexahydropyrimidine-4-carboxylic acid
SMILES [?]:
C1C(NC(=O)NC1=O)C(=O)O
InChi [?]:
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,4,3,6,8,10,11,5/E:(9,10)/rA:11cCCNCONCOCOO/rB:s1;s2;s3;d4;s4;s1s6;d7;s2;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N2O4 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.06113 |
Area: | 299.043 |
Solvation: | -3.41494 |
Coulombic: | -66.4586 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 158.112 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.67 |
LogP (Chemaxon): | -1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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