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Chemical ID: 6733215
Chemical ID:
6733215
Name [?]:
(2,3-dimethoxyphenyl)-(3-methyl-1H-imidazol-2-yl)-methanol
SMILES [?]:
Cn1cc[nH+]c1C(c2cccc(c2OC)OC)O
InChi [?]:
InChI=1/C13H16N2O3/c1-15-8-7-14-13(15)11(16)9-5-4-6-10(17-2)12(9)18-3/h4-8,11,16H,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,15,10,9,11,4,3,8,12,7,13,6,5,2,18,16,14/rA:18cCNCCN+CCCCCCCCOCOCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s12;s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N2O3+ |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -24.2378 |
Area: | 412.874 |
Solvation: | -34.5597 |
Coulombic: | -33.6213 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.07 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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