Molecule

ID:36965

General Information
Structure
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6H,7H2,1-2H3
InChIKey
UJMGZPCKYHBCKU-UHFFFAOYSA-N
Canonic Smiles
CC1(C)Cc2c(O1)cccc2
Isomeric Smiles
c1ccc2c(c1)CC(O2)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.55
LogD (pH = 5.5)
2.55
Log P
2.55
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.87
Polar Surface Area
9.23
Polarizability
17.01
Molar Refractivity
44.89
LOG S
-2.20
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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