Molecule

ID:2245

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKey
MGSRCZKZVOBKFT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)O)C(C)C
Isomeric Smiles
CC(C)c1ccc(C)cc1O
Calculated Properties
JChem
LogD (pH = 7.4)
3.43
LogD (pH = 5.5)
3.43
Log P
3.43
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.59
Polar Surface Area
20.23
Polarizability
17.84
Molar Refractivity
47.27
LOG S
-2.76
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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