Molecule
ID:27577
General Information
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-3-5-6-14(15)12-7-9-13(10-8-12)16-11-4-2/h7-10H,3-6,11H2,1-2H3
InChIKey
RRSMRBGHKGHINT-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)c1ccc(cc1)OCCC
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC)CCCC
Calculated Properties
JChem
Acid pKa
17.36512
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8422256
LogD (pH = 7.4)
3.8422256
Log P
3.8422256
Molar Refractivity
66.0255
Polarizability
25.794582
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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