Molecule

ID:110304

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆
Molecular Mass
124.22334
Exact Mass
124.12520051
Charge
0
InChI
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
InChIKey
RAYTXPDVKZFUEI-UHFFFAOYSA-N
Canonic Smiles
CCCCC#CCCC
Isomeric Smiles
CCCCC#CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0495505
LogD (pH = 7.4)
4.0495505
Log P
4.0495505
Molar Refractivity
42.5726
Polarizability
16.258823
Polar Surface Area
0.0
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
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Related Proteins
No Data Available
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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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