Chemical ID: 6733215

Cn1cc[nH+]c1C(c2cccc(c2OC)OC)O
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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