Molecule

ID:73832

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N
Molecular Mass
143.18516
Exact Mass
143.07349929
Charge
0
InChI
InChI=1S/C10H9N/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-7H,1,5H2
InChIKey
YKEPUZIZTZEFPU-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1C#N
Isomeric Smiles
N#Cc1c(cccc1)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9279127
LogD (pH = 7.4)
2.9279127
Log P
2.9279127
Molar Refractivity
46.0669
Polarizability
17.483883
Polar Surface Area
23.79
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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