Molecule

ID:77803

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey
IXQGCWUGDFDQMF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1O
Isomeric Smiles
Oc1c(cccc1)CC
Calculated Properties
JChem
Acid pKa
10.311577
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6276639
LogD (pH = 7.4)
2.6271415
Log P
2.6276705
Molar Refractivity
37.6811
Polarizability
14.550553
Polar Surface Area
20.23
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
No Data Available
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Molecule Details
References
Bioactivity
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