Molecule

ID:107299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChIKey
NGFPWHGISWUQOI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1O)C
Isomeric Smiles
CCC(C)c1ccccc1O
Calculated Properties
JChem
LogD (pH = 7.4)
3.36
LogD (pH = 5.5)
3.36
Log P
3.36
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.49
Polar Surface Area
20.23
Polarizability
17.66
Molar Refractivity
46.83
LOG S
-2.76
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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