Molecule

ID:52259

General Information
Structure
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Molecular Formula
C₉H₁₂O₂
Molecular Mass
152.19038
Exact Mass
152.08372962
Charge
0
InChI
InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey
HEVMDQBCAHEHDY-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccccc1)OC
Isomeric Smiles
C(c1ccccc1)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1279252
LogD (pH = 7.4)
2.1279252
Log P
2.1279252
Molar Refractivity
43.4062
Polarizability
17.225885
Polar Surface Area
18.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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