Chemical ID: 6149312

Cc1ccc(cc1)OCC(Cn2ccnc2C)O
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue