Molecule

ID:83418

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c1-3-12-8(2)13-10-7-5-4-6-9(10)11/h4-8,11H,3H2,1-2H3
InChIKey
RJXXCLQZUVADGY-UHFFFAOYSA-N
Canonic Smiles
CCOC(Oc1ccccc1O)C
Isomeric Smiles
O(c1ccccc1O)C(OCC)C
Calculated Properties
JChem
Acid pKa
9.8338785
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1614554
LogD (pH = 7.4)
2.15989
Log P
2.1614754
Molar Refractivity
49.946
Polarizability
19.668718
Polar Surface Area
38.69
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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