Molecule

ID:126810

General Information
Structure
MolImage
Molecular Formula
C₅H₆
Molecular Mass
66.10114
Exact Mass
66.04695019
Charge
0
InChI
InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
InChIKey
ZSWFCLXCOIISFI-UHFFFAOYSA-N
Canonic Smiles
C1C=CC=C1
Isomeric Smiles
C1C=CC=C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.50
LogD (pH = 5.5)
1.50
Log P
1.50
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
15.34
Polar Surface Area
0.00
Polarizability
7.69
Molar Refractivity
25.24
LOG S
-1.21
Data Source
Names and Identifiers
Registration numbers
Properties
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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