Molecule

ID:101428

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃
Molecular Mass
183.20926
Exact Mass
183.0796473
Charge
0
InChI
InChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-5-3-2-4-10(11)8-12/h2-7H,1H3
InChIKey
NCQQCFZREDABTC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1n1ccnc1C
Isomeric Smiles
n1(c(ncc1)C)c1c(C#N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.26416788
LogD (pH = 7.4)
1.2214555
Log P
1.3587
Molar Refractivity
64.1687
Polarizability
21.028587
Polar Surface Area
41.61
Rotatable Bonds
1
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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