Molecule

ID:126088

General Information
Structure
Molecular Formula
C₈H₆
Molecular Mass
102.13324
Exact Mass
102.04695019
Charge
0
InChI
InChI=1S/C8H6/c1-2-4-8-6-5-7(8)3-1/h1-6H
InChIKey
WHEATZOONURNGF-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)C=C2
Isomeric Smiles
c12ccccc1C=C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3398411
LogD (pH = 7.4)
2.3398411
Log P
2.3398411
Molar Refractivity
35.4548
Polarizability
13.273347
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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