Molecule

ID:72145

General Information
Structure
Molecular Formula
C₁₄H₂₀O
Molecular Mass
204.308
Exact Mass
204.15141526
Charge
0
InChI
InChI=1S/C14H20O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-11H,3-7H2,1-2H3
InChIKey
WWBVHJKFJZBRSO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccc(cc1)C(=O)C
Isomeric Smiles
c1c(ccc(c1)CCCCCC)C(=O)C
Calculated Properties
JChem
Acid pKa
16.22407
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.267158
LogD (pH = 7.4)
4.267158
Log P
4.267158
Molar Refractivity
64.507
Polarizability
25.069935
Polar Surface Area
17.07
Rotatable Bonds
6
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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