Molecule

ID:129108

General Information
Structure
MolImage
Molecular Formula
C₆H₆
Molecular Mass
78.11184
Exact Mass
78.04695019
Charge
0
InChI
InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H
InChIKey
RCJOMOPNGOSMJU-UHFFFAOYSA-N
Canonic Smiles
C12C3C2C2C1C32
Isomeric Smiles
C12C3C1C1C2C31
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.33093688
LogD (pH = 7.4)
0.33093688
Log P
0.33093688
Molar Refractivity
21.885
Polarizability
8.865133
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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