Molecule

ID:88240

General Information
Structure
MolImage
Molecular Formula
C₆H₆
Molecular Mass
78.11184
Exact Mass
78.04695019
Charge
0
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey
UHOVQNZJYSORNB-UHFFFAOYSA-N
Canonic Smiles
c1ccccc1
Isomeric Smiles
c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.97
LogD (pH = 5.5)
1.97
Log P
1.97
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
8.89
Molar Refractivity
26.06
LOG S
-1.27
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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