Molecule

ID:75738

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
InChIKey
ZENOXNGFMSCLLL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CO)ccc1O
Isomeric Smiles
O(c1c(ccc(c1)CO)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.74
LogD (pH = 5.5)
0.74
Log P
0.74
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.92
Polar Surface Area
49.69
Polarizability
15.78
Molar Refractivity
41.32
LOG S
-0.54
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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