Molecule

ID:8752

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃N
Molecular Mass
183.24902
Exact Mass
183.10479942
Charge
0
InChI
InChI=1S/C13H13N/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9,14H2
InChIKey
GZYMMTQDXHJALZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Cc1ccccc1
Isomeric Smiles
c1cc(cc(c1)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1869626
LogD (pH = 7.4)
3.2354589
Log P
3.2361138
Molar Refractivity
60.4956
Polarizability
22.905815
Polar Surface Area
26.02
Rotatable Bonds
2
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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