Molecule

ID:52199

General Information
Structure
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Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
YLKSTPDTTKOSIL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1N)c1ccccc1
Isomeric Smiles
Nc1c(ccc(c1)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2860577
LogD (pH = 7.4)
3.3047233
Log P
3.3049667
Molar Refractivity
60.9358
Polarizability
24.358961
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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