Molecule

ID:75301

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-12-10-6-5-9(11)7-3-2-4-8(7)10/h5-6,11H,2-4H2,1H3
InChIKey
MUYRQNYFMUEYKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1CCC2)O
Isomeric Smiles
Oc1c2c(c(cc1)OC)CCC2
Calculated Properties
JChem
Acid pKa
10.326088
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5196884
LogD (pH = 7.4)
2.519183
Log P
2.5196948
Molar Refractivity
47.3833
Polarizability
18.088448
Polar Surface Area
29.46
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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