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Chemical ID: 5740901
Chemical ID:
5740901
Name [?]:
6-hydroxy-8-(2-hydroxyethylamino)-3-methyl-7H-purin-2-one
SMILES [?]:
Cn1c2c(c(nc1=O)O)[nH]c(n2)NCCO
InChi [?]:
InChI=1/C8H11N5O3/c1-13-5-4(6(15)12-8(13)16)10-7(11-5)9-2-3-14/h14H,2-3H2,1H3,(H2,9,10,11)(H,12,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,15,4,3,5,11,7,13,10,12,6,2,16,9,8/rA:16nCNCCCNCOONCNNCCO/rB:s1;s2;d3;s4;d5;s2s6;d7;s5;s4;s10;s3d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N5O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30261 |
Area: | 395.97 |
Solvation: | -3.59664 |
Coulombic: | -86.4274 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.205 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -1.53 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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