Molecule

ID:127493

General Information
Structure
MolImage
Molecular Formula
C₆H₆
Molecular Mass
78.11184
Exact Mass
78.04695019
Charge
0
InChI
InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2
InChIKey
PGTKVMVZBBZCKQ-UHFFFAOYSA-N
Canonic Smiles
C=C1C=CC=C1
Isomeric Smiles
C=C1C=CC=C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.44
LogD (pH = 5.5)
1.44
Log P
1.44
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
8.98
Molar Refractivity
29.56
LOG S
-1.49
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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