Molecule
ID:119010
General Information
Molecular Formula
C₁₃H₂₄O
Molecular Mass
196.32906
Exact Mass
196.18271539
Charge
0
InChI
InChI=1S/C13H24O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h12H,2-11H2,1H3/t12-/m1/s1
InChIKey
JJUNXABENLJLAY-GFCCVEGCSA-N
Canonic Smiles
O=C1CCCCCCCCCC[C@H]1C
Isomeric Smiles
C1(=O)[C@H](C)CCCCCCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6985927
LogD (pH = 7.4)
4.6985927
Log P
4.6985927
Molar Refractivity
60.4279
Polarizability
24.032774
Polar Surface Area
17.07
Rotatable Bonds
0
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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