Molecule

ID:73709

General Information
Structure
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Molecular Formula
C₉H₁₈
Molecular Mass
126.23922
Exact Mass
126.14085058
Charge
0
InChI
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
InChIKey
JRZJOMJEPLMPRA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC=C
Isomeric Smiles
C=CCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.16
LogD (pH = 5.5)
4.16
Log P
4.16
Rotatable Bonds
6
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.56
Molar Refractivity
43.26
LOG S
-4.26
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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