Molecule
ID:53055
General Information
Molecular Formula
C₁₄H₂₆O
Molecular Mass
210.35564
Exact Mass
210.19836545
Charge
0
InChI
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,14H,2,5-13H2,1H3/b4-3+
InChIKey
SPFYVVCZIOLVOK-ONEGZZNKSA-N
Canonic Smiles
O=CCCCCCCCCC/C=C/CC
Isomeric Smiles
C(=O)CCCCCCCCC/C=C/CC
Calculated Properties
JChem
Acid pKa
15.555514
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8469076
LogD (pH = 7.4)
4.8469076
Log P
4.8469076
Molar Refractivity
68.0728
Polarizability
26.382998
Polar Surface Area
17.07
Rotatable Bonds
11
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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