Molecule

ID:24799

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
InChIKey
SVNCRRZKBNSMIV-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc2c(c1)cccc2
Isomeric Smiles
n1c2c(cc(c1)N)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2170014
LogD (pH = 7.4)
1.3007824
Log P
1.3019745
Molar Refractivity
44.6797
Polarizability
18.161407
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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