Molecule

ID:69835

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey
WHKRHBLAJFYZKF-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(c(c1)O)OC
Isomeric Smiles
C(c1cc(c(cc1)OC)O)O
Calculated Properties
JChem
Acid pKa
9.809447
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7446383
LogD (pH = 7.4)
0.7429823
Log P
0.7446595
Molar Refractivity
41.318
Polarizability
15.919499
Polar Surface Area
49.69
Rotatable Bonds
2
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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