Molecule

ID:131351

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₃
Molecular Mass
182.21636
Exact Mass
182.09429431
Charge
0
InChI
InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m1/s1
InChIKey
LWCIBYRXSHRIAP-SNVBAGLBSA-N
Canonic Smiles
OC[C@H](COCc1ccccc1)O
Isomeric Smiles
c1ccc(cc1)COC[C@@H](CO)O
Calculated Properties
JChem
Acid pKa
13.640775
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5285856
LogD (pH = 7.4)
0.5285854
Log P
0.5285856
Molar Refractivity
49.8799
Polarizability
19.622992
Polar Surface Area
49.69
Rotatable Bonds
5
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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