Molecule

ID:80967

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-8H
InChIKey
SPFWVEKHAJYTGG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)n1cccc1
Isomeric Smiles
n1(c2cccnc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0428292
LogD (pH = 7.4)
1.2463707
Log P
1.2499
Molar Refractivity
53.6535
Polarizability
17.456501
Polar Surface Area
17.82
Rotatable Bonds
1
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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