Molecule

ID:106737

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
GTWJETSWSUWSEJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)NCc1ccccc1
Isomeric Smiles
C(Nc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1592824
LogD (pH = 7.4)
3.1703541
Log P
3.1704972
Molar Refractivity
60.8644
Polarizability
22.986311
Polar Surface Area
12.03
Rotatable Bonds
3
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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