Molecule

ID:93029

General Information
Structure
Molecular Formula
C₁₂H₈N₂
Molecular Mass
180.20532
Exact Mass
180.06874827
Charge
0
InChI
InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
InChIKey
SWJXWSAKHXBQSY-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1ccccc1nn2
Isomeric Smiles
n1nc2ccccc2c2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5263183
LogD (pH = 7.4)
2.5264559
Log P
2.5264575
Molar Refractivity
55.9208
Polarizability
23.784994
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
References
Bioactivity
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