Molecule

ID:89454

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
InChIKey
WOXFMYVTSLAQMO-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccn1
Isomeric Smiles
n1c(cccc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7652225
LogD (pH = 7.4)
-1.1871763
Log P
-0.037186284
Molar Refractivity
31.8523
Polarizability
12.804925
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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