Molecule

ID:80898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChIKey
IZPUPXNVRNBDSW-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)C#N
Isomeric Smiles
N#CC(c1ccccc1)CC
Calculated Properties
JChem
Acid pKa
15.356869
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.656498
LogD (pH = 7.4)
2.656498
Log P
2.656498
Molar Refractivity
45.5204
Polarizability
17.560896
Polar Surface Area
23.79
Rotatable Bonds
2
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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