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Chemical ID: 4179267
Chemical ID:
4179267
Name [?]:
1-[2-(2,5-dimethylphenoxy)ethyl]imidazole
SMILES [?]:
Cc1ccc(c(c1)OCCn2ccnc2)C
InChi [?]:
InChI=1/C13H16N2O/c1-11-3-4-12(2)13(9-11)16-8-7-15-6-5-14-10-15/h3-6,9-10H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,3,4,13,12,10,9,7,15,2,5,6,14,11,8/rA:16nCCCCCCCOCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;s11d14;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80855 |
Area: | 416.084 |
Solvation: | -2.59355 |
Coulombic: | -18.8502 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 216.279 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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