Molecule

ID:78361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
InChIKey
VWGNFIQXBYRDCH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)OCC
Isomeric Smiles
O(c1ccc(cc1)OCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.371519
LogD (pH = 7.4)
2.371519
Log P
2.371519
Molar Refractivity
48.4816
Polarizability
19.045471
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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