Molecule

ID:111837

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀
Molecular Mass
106.165
Exact Mass
106.07825032
Charge
0
InChI
InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2
InChIKey
WTQBISBWKRKLIJ-UHFFFAOYSA-N
Canonic Smiles
C=C1CC2CC1C=C2
Isomeric Smiles
C=C1CC2CC1C=C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9106072
LogD (pH = 7.4)
1.9106072
Log P
1.9106072
Molar Refractivity
35.7427
Polarizability
13.571364
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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