Molecule

ID:15090

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
InChIKey
PZOUSPYUWWUPPK-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1cc[nH]2
Isomeric Smiles
c1c[nH]c2c1c(ccc2)C
Calculated Properties
JChem
Acid pKa
16.840416
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.5854292
LogD (pH = 7.4)
2.5854292
Log P
2.5854292
Molar Refractivity
42.1857
Polarizability
17.42589
Polar Surface Area
15.79
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
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References
Bioactivity
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