Molecule

ID:110565

General Information
Structure
MolImage
Molecular Formula
C₆H₆
Molecular Mass
78.11184
Exact Mass
78.04695019
Charge
0
InChI
InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3
InChIKey
PCTCNWZFDASPLA-UHFFFAOYSA-N
Canonic Smiles
CC#CC#CC
Isomeric Smiles
CC#CC#CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3005512
LogD (pH = 7.4)
2.3005512
Log P
2.3005512
Molar Refractivity
28.131
Polarizability
9.607803
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation