Molecule

ID:89470

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKey
KLIDCXVFHGNTTM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1O)OC
Isomeric Smiles
Oc1c(cccc1OC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
1.35
LogD (pH = 5.5)
1.35
Log P
1.35
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.37
Polar Surface Area
38.69
Polarizability
15.55
Molar Refractivity
40.97
LOG S
-1.03
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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