Molecule

ID:107166

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)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
InChIKey
ZUTYZAFDFLLILI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)O)C
Isomeric Smiles
CCC(C)c1ccc(O)cc1
Calculated Properties
JChem
Acid pKa
10.270497
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.359251
LogD (pH = 7.4)
3.3586767
Log P
3.3592584
Molar Refractivity
46.8307
Polarizability
18.240522
Polar Surface Area
20.23
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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