ChemDB: Chemical Search
Download
Chemical ID: 6149312
Chemical ID:
6149312
Name [?]:
1-(2-methylimidazol-1-yl)-3-(4-methylphenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(cc1)OCC(Cn2ccnc2C)O
InChi [?]:
InChI=1/C14H18N2O2/c1-11-3-5-14(6-4-11)18-10-13(17)9-16-8-7-15-12(16)2/h3-8,13,17H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,14,13,11,9,2,16,10,5,15,12,18,8/E:(3,4)(5,6)/rA:18cCCCCCCCOCCCNCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;s12d15;s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.14443 |
Area: | 448.722 |
Solvation: | -5.07362 |
Coulombic: | -33.4737 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|