Molecule

ID:53554

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
InChIKey
WITMXBRCQWOZPX-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)n1cccn1
Isomeric Smiles
n1(nccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.06
LogD (pH = 5.5)
2.06
Log P
2.06
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
1.61
Polar Surface Area
17.82
Polarizability
15.54
Molar Refractivity
44.42
LOG S
-1.56
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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