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Chemical ID: 4176520
Chemical ID:
4176520
Name [?]:
1-[3-(2,6-dimethylphenoxy)propyl]imidazole
SMILES [?]:
Cc1cccc(c1OCCCn2ccnc2)C
InChi [?]:
InChI=1/C14H18N2O/c1-12-5-3-6-13(2)14(12)17-10-4-8-16-9-7-15-11-16/h3,5-7,9,11H,4,8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,10,3,5,14,11,13,9,16,2,6,7,15,12,8/E:(1,2)(5,6)(12,13)/rA:17nCCCCCCCOCCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;d13;s14;s12d15;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06767 |
Area: | 438.252 |
Solvation: | -2.88861 |
Coulombic: | -18.4675 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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