Molecule

ID:89889

General Information
Structure
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Molecular Formula
C₇H₁₂
Molecular Mass
96.17018
Exact Mass
96.09390038
Charge
0
InChI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3
InChIKey
AMSFEMSYKQQCHL-UHFFFAOYSA-N
Canonic Smiles
CCCCC#CC
Isomeric Smiles
CCCCC#CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1604133
LogD (pH = 7.4)
3.1604133
Log P
3.1604133
Molar Refractivity
33.3706
Polarizability
12.564783
Polar Surface Area
0.0
Rotatable Bonds
3
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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