Molecule

ID:52889

General Information
Structure
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
InChIKey
NIIDHUCLROLCBU-UHFFFAOYSA-N
Canonic Smiles
OCCCc1ccc(cc1)OC
Isomeric Smiles
c1c(ccc(c1)CCCO)OC
Calculated Properties
JChem
Acid pKa
15.963386
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7814547
LogD (pH = 7.4)
1.7814547
Log P
1.7814547
Molar Refractivity
48.6931
Polarizability
18.910267
Polar Surface Area
29.46
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
References
Bioactivity
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