Molecule

ID:64563

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
InChIKey
NGFCTYXFMDWFRQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ccnc2
Isomeric Smiles
c12cc(N)ccc1cncc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.039759763
LogD (pH = 7.4)
0.57511336
Log P
0.91612417
Molar Refractivity
45.0517
Polarizability
18.154654
Polar Surface Area
38.91
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
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Molecule Details
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References
Bioactivity
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