Molecule

ID:92003

General Information
Structure
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Molecular Formula
C₈H₆
Molecular Mass
102.13324
Exact Mass
102.04695019
Charge
0
InChI
InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey
UEXCJVNBTNXOEH-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccccc1
Isomeric Smiles
C#Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1240811
LogD (pH = 7.4)
2.1240811
Log P
2.1240811
Molar Refractivity
31.2303
Polarizability
12.969005
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
No Data Available
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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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