Molecule

ID:52396

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₂
Molecular Mass
152.19038
Exact Mass
152.08372962
Charge
0
InChI
InChI=1S/C9H12O2/c1-7-4-5-8(10-2)6-9(7)11-3/h4-6H,1-3H3
InChIKey
OSNMRWURXNWCGA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OC)C
Isomeric Smiles
c1(c(cc(cc1)OC)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1713247
LogD (pH = 7.4)
2.1713247
Log P
2.1713247
Molar Refractivity
44.0256
Polarizability
17.126076
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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