Molecule

ID:106929

General Information
Structure
Molecular Formula
C₁₅H₉N
Molecular Mass
203.23866
Exact Mass
203.07349929
Charge
0
InChI
InChI=1S/C15H9N/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H
InChIKey
CWFIYYOQYVYBPW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2ccccc2c2c1cccc2
Isomeric Smiles
N#Cc1cc2c(cccc2)c2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8082955
LogD (pH = 7.4)
3.8082955
Log P
3.8082955
Molar Refractivity
64.68
Polarizability
27.479958
Polar Surface Area
23.79
Rotatable Bonds
0
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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