Molecule

ID:77567

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
WAFBISYQIGCOQU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)c1ccccc1
Isomeric Smiles
Nc1ccc(cc1C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.287378
LogD (pH = 7.4)
3.3047407
Log P
3.3049667
Molar Refractivity
60.9358
Polarizability
24.355833
Polar Surface Area
26.02
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
References
Bioactivity
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