Molecule

ID:8739

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O
Molecular Mass
206.32388
Exact Mass
206.16706532
Charge
0
InChI
InChI=1S/C14H22O/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,15H,1-4,6,9-10,13H2
InChIKey
MGIGATOGROSKNW-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCc1ccccc1
Isomeric Smiles
C(O)CCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.161969
LogD (pH = 7.4)
4.161969
Log P
4.161969
Molar Refractivity
65.2349
Polarizability
25.645033
Polar Surface Area
20.23
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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