Molecule

ID:67784

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
InChIKey
VYCKDIRCVDCQAE-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc2c(c1)cccc2
Isomeric Smiles
c1nc(cc2ccccc12)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36428583
LogD (pH = 7.4)
1.401097
Log P
1.5105817
Molar Refractivity
45.3652
Polarizability
18.154638
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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