Molecule

ID:107485

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₂
Molecular Mass
222.32328
Exact Mass
222.16197994
Charge
0
InChI
InChI=1S/C14H22O2/c1-4-5-6-9-14(2,3)12-8-7-11(15)10-13(12)16/h7-8,10,15-16H,4-6,9H2,1-3H3
InChIKey
IKFKZQCCWZJFIU-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(c1ccc(cc1O)O)(C)C
Isomeric Smiles
CCCCCC(C)(C)c1ccc(O)cc1O
Calculated Properties
JChem
Acid pKa
9.665531
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.6894164
LogD (pH = 7.4)
4.6871095
Log P
4.689446
Molar Refractivity
67.0897
Polarizability
26.19707
Polar Surface Area
40.46
Rotatable Bonds
5
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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