Molecule

ID:110138

General Information
Structure
MolImage
Molecular Formula
C₇H₉N
Molecular Mass
107.15306
Exact Mass
107.07349929
Charge
0
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
InChIKey
GYBNBQFUPDFFQX-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCC=CC1
Isomeric Smiles
N#CC1CCC=CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5861837
LogD (pH = 7.4)
1.5861837
Log P
1.5861837
Molar Refractivity
33.9418
Polarizability
12.498306
Polar Surface Area
23.79
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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