Molecule

ID:66833

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,10H2
InChIKey
RZAUIOKDXQWSQE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nccc2
Isomeric Smiles
n1cccc2ccc(cc12)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.43590283
LogD (pH = 7.4)
1.2551222
Log P
1.3019745
Molar Refractivity
44.6797
Polarizability
18.160921
Polar Surface Area
38.91
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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