Molecule

ID:100987

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂
Molecular Mass
106.12524
Exact Mass
106.0530982
Charge
0
InChI
InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2
InChIKey
KANZWHBYRHQMKZ-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cnccn1
Isomeric Smiles
n1c(C=C)cncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.50825405
LogD (pH = 7.4)
0.508264
Log P
0.5082641
Molar Refractivity
30.9834
Polarizability
12.054763
Polar Surface Area
25.78
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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