Molecule

ID:112346

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/h1-2H,5-6H2
InChIKey
YFIBSNDOVCWPBL-UHFFFAOYSA-N
Canonic Smiles
C#CCCC#C
Isomeric Smiles
C#CCCC#C
Calculated Properties
JChem
LogD (pH = 7.4)
1.52
LogD (pH = 5.5)
1.52
Log P
1.52
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
9.39
Molar Refractivity
26.33
LOG S
-1.88
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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