Molecule

ID:8806

General Information
Structure
MolImage
Molecular Formula
C₉H₉N
Molecular Mass
131.17446
Exact Mass
131.07349929
Charge
0
InChI
InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
InChIKey
UZDXATQPJOOHQJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CC
Isomeric Smiles
C(#N)c1c(CC)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.787332
LogD (pH = 7.4)
2.787332
Log P
2.787332
Molar Refractivity
41.4218
Polarizability
15.79078
Polar Surface Area
23.79
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
References
Bioactivity
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