Molecule

ID:69973

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₃
Molecular Mass
168.18978
Exact Mass
168.07864424
Charge
0
InChI
InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChIKey
AGIQIOSHSMJYJP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OC)OC
Isomeric Smiles
c1(c(cc(cc1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.500232
LogD (pH = 7.4)
1.500232
Log P
1.500232
Molar Refractivity
45.4476
Polarizability
17.886217
Polar Surface Area
27.69
Rotatable Bonds
3
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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