Molecule

ID:59074

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂
Molecular Mass
146.1891
Exact Mass
146.08439833
Charge
0
InChI
InChI=1S/C9H10N2/c1-8-4-2-3-5-9(8)6-11-7-10/h2-5,11H,6H2,1H3
InChIKey
VJZAEENNIHROPH-UHFFFAOYSA-N
Canonic Smiles
N#CNCc1ccccc1C
Isomeric Smiles
C(#N)NCc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
10.725531
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0255325
LogD (pH = 7.4)
2.0255325
Log P
2.0255325
Molar Refractivity
45.3061
Polarizability
16.753736
Polar Surface Area
35.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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