Molecule
ID:121764
General Information
Molecular Formula
C₁₃H₂₂O
Molecular Mass
194.31318
Exact Mass
194.16706532
Charge
0
InChI
InChI=1S/C13H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h9H,2-8,10-11H2,1H3/b12-9+
InChIKey
CSVZOOMJWBCXPP-FMIVXFBMSA-N
Canonic Smiles
CCCCCC/C=C/1\CCCCC1=O
Isomeric Smiles
C\1(=C\CCCCCC)/C(=O)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.54898
LogD (pH = 7.4)
4.54898
Log P
4.54898
Molar Refractivity
61.3038
Polarizability
23.797077
Polar Surface Area
17.07
Rotatable Bonds
5
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
No Data Available
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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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