Molecule

ID:126926

General Information
Structure
MolImage
Molecular Formula
C₆H₆
Molecular Mass
78.11184
Exact Mass
78.04695019
Charge
0
InChI
InChI=1S/C6H6/c1-2-6-4-3-5(1)6/h1-6H
InChIKey
CTLSARLLLBZBRV-UHFFFAOYSA-N
Canonic Smiles
C1=CC2C1C=C2
Isomeric Smiles
C1=CC2C=CC12
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.1647437
LogD (pH = 7.4)
1.1647437
Log P
1.1647437
Molar Refractivity
27.9322
Polarizability
9.87751
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
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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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