Molecule

ID:68204

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChIKey
YPKBCLZFIYBSHK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)cc[nH]2
Isomeric Smiles
[nH]1ccc2cc(ccc12)C
Calculated Properties
JChem
Acid pKa
16.698608
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
17.425344
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
References
Bioactivity
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