Molecule

ID:106979

General Information
Structure
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
InChIKey
HIKRJHFHGKZKRI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)cc(cc1C)C
Isomeric Smiles
Cc1cc(C)c(C=O)c(C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2260122
LogD (pH = 7.4)
3.2260122
Log P
3.2260122
Molar Refractivity
47.7656
Polarizability
17.528116
Polar Surface Area
17.07
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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