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Chemical ID: 4946759
Chemical ID:
4946759
Name [?]:
1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-4-imino-pyrimidin-2-one
SMILES [?]:
c1cn(c(=O)[nH]c1=N)C2COC(O2)CO
InChi [?]:
InChI=1/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,14,10,7,9,12,4,8,6,3,15,5,11,13/rA:15cCCNCONCNCCOCOCO/rB:d1;s2;s3;d4;s4;s1s6;w7;s3;s9;s10;s11;s9s12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.86452 |
Area: | 369.005 |
Solvation: | -5.3606 |
Coulombic: | -73.1143 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.191 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.28 |
LogP (Chemaxon): | -0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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