Molecule

ID:68928

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄
Molecular Mass
110.19676
Exact Mass
110.10955045
Charge
0
InChI
InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChIKey
DZPCYXCBXGQBRN-UHFFFAOYSA-N
Canonic Smiles
CC(=CC=C(C)C)C
Isomeric Smiles
CC(=CC=C(C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8940172
LogD (pH = 7.4)
2.8940172
Log P
2.8940172
Molar Refractivity
40.2054
Polarizability
15.07101
Polar Surface Area
0.0
Rotatable Bonds
1
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
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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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