Molecule

ID:69879

General Information
Structure
Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey
AGHYMXKKEXDUTA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Nc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9265702
LogD (pH = 7.4)
3.9265926
Log P
3.926593
Molar Refractivity
59.5854
Polarizability
22.903471
Polar Surface Area
12.03
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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