Molecule

ID:88249

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂
Molecular Mass
118.13594
Exact Mass
118.0530982
Charge
0
InChI
InChI=1S/C7H6N2/c1-2-4-9-6-8-5-7(9)3-1/h1-6H
InChIKey
JMANUKZDKDKBJP-UHFFFAOYSA-N
Canonic Smiles
c1ccc2n(c1)cnc2
Isomeric Smiles
n12c(cnc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.1734373
LogD (pH = 7.4)
0.06276157
Log P
0.41140565
Molar Refractivity
36.3367
Polarizability
13.979686
Polar Surface Area
17.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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