Molecule

ID:61464

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N
Molecular Mass
143.18516
Exact Mass
143.07349929
Charge
0
InChI
InChI=1S/C10H9N/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8H,5-6H2
InChIKey
ZQDBFODKGYNZFK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1C1CC1
Isomeric Smiles
C1(CC1)c1c(C#N)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6106253
LogD (pH = 7.4)
2.6106253
Log P
2.6106253
Molar Refractivity
44.1682
Polarizability
16.895378
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
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References
Bioactivity
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