Molecule

ID:86574

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O
Molecular Mass
122.1644
Exact Mass
122.07316494
Charge
0
InChI
InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
GQKZBCPTCWJTAS-UHFFFAOYSA-N
Canonic Smiles
COCc1ccccc1
Isomeric Smiles
O(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8490225
LogD (pH = 7.4)
1.8490225
Log P
1.8490225
Molar Refractivity
37.6251
Polarizability
14.7156725
Polar Surface Area
9.23
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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