Molecule

ID:64562

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
InChIKey
ISIUXVGHQFJYHM-UHFFFAOYSA-N
Canonic Smiles
Nc1cncc2c1cccc2
Isomeric Smiles
n1cc(c2c(c1)cccc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5881658
LogD (pH = 7.4)
0.909105
Log P
0.91612417
Molar Refractivity
45.0517
Polarizability
18.158134
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
References
Bioactivity
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