Molecule

ID:126806

General Information
Structure
Molecular Formula
C₈H₁₀
Molecular Mass
106.165
Exact Mass
106.07825032
Charge
0
InChI
InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-4,7-8H,5-6H2
InChIKey
LHNSMWDERKGLJK-UHFFFAOYSA-N
Canonic Smiles
C1=CCC=CC=CC1
Isomeric Smiles
C1C=CCC=CC=C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4707844
LogD (pH = 7.4)
2.4707844
Log P
2.4707844
Molar Refractivity
40.1578
Polarizability
14.09487
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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