Molecule

ID:112307

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂
Molecular Mass
108.18088
Exact Mass
108.09390038
Charge
0
InChI
InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,8H,3-7H2
InChIKey
SSDZYLQUYMOSAK-UHFFFAOYSA-N
Canonic Smiles
C#CC1CCCCC1
Isomeric Smiles
C#CC1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.591845
LogD (pH = 7.4)
2.591845
Log P
2.591845
Molar Refractivity
35.2172
Polarizability
13.667008
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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