Molecule

ID:111987

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄
Molecular Mass
98.18606
Exact Mass
98.10955045
Charge
0
InChI
InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3
InChIKey
BWEKDYGHDCHWEN-UHFFFAOYSA-N
Canonic Smiles
CCCC=C(C)C
Isomeric Smiles
CCCC=C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0125775
LogD (pH = 7.4)
3.0125775
Log P
3.0125775
Molar Refractivity
34.8068
Polarizability
13.44952
Polar Surface Area
0.0
Rotatable Bonds
2
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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