Molecule

ID:77656

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChIKey
DPZNOMCNRMUKPS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC
Isomeric Smiles
O(c1cc(ccc1)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6579033
LogD (pH = 7.4)
1.6579033
Log P
1.6579033
Molar Refractivity
38.9844
Polarizability
15.360809
Polar Surface Area
18.46
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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