Molecule

ID:79465

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃N
Molecular Mass
231.29182
Exact Mass
231.10479942
Charge
0
InChI
InChI=1S/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H
InChIKey
PJUOHDQXFNPPRF-UHFFFAOYSA-N
Canonic Smiles
c1cc(nc(c1)c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(cccc1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.814076
LogD (pH = 7.4)
4.8216276
Log P
4.821725
Molar Refractivity
73.4295
Polarizability
31.69002
Polar Surface Area
12.89
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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