Molecule

ID:89726

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂
Molecular Mass
104.10936
Exact Mass
104.03744814
Charge
0
InChI
InChI=1S/C6H4N2/c1-2-6-5-7-3-4-8-6/h1,3-5H
InChIKey
GLEJGPDNIJWWQH-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cnccn1
Isomeric Smiles
n1cc(ncc1)C#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.074585356
LogD (pH = 7.4)
0.07458656
Log P
0.07458658
Molar Refractivity
26.5445
Polarizability
11.113229
Polar Surface Area
25.78
Rotatable Bonds
0
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
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References
Bioactivity
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