Molecule

ID:10123

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3
InChIKey
KGWPHCDTOLQQEP-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1[nH]cc2
Isomeric Smiles
c1(C)c2c(ccc1)cc[nH]2
Calculated Properties
JChem
Acid pKa
16.789963
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
17.426714
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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