Molecule

ID:107652

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀O
Molecular Mass
262.4302
Exact Mass
262.22966558
Charge
0
InChI
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
InChIKey
KJWMCPYEODZESQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCc1ccc(cc1)O
Isomeric Smiles
CCCCCCCCCCCCc1ccc(O)cc1
Calculated Properties
JChem
Acid pKa
10.306872
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.0733504
LogD (pH = 7.4)
7.0728226
Log P
7.073357
Molar Refractivity
83.6911
Polarizability
33.01488
Polar Surface Area
20.23
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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