Molecule

ID:44040

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-6H,11H2/b9-6-
InChIKey
GDJDODGBGRBEAN-TWGQIWQCSA-N
Canonic Smiles
N#C/C=C(/c1ccccc1)\N
Isomeric Smiles
N#C/C=C(/c1ccccc1)\N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.96957195
LogD (pH = 7.4)
0.9699689
Log P
0.969974
Molar Refractivity
45.589
Polarizability
16.669703
Polar Surface Area
49.81
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
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References
Bioactivity
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