Molecule
ID:50310
General Information
Molecular Formula
C₁₆H₁₇N
Molecular Mass
223.31288
Exact Mass
223.13609955
Charge
0
InChI
InChI=1S/C16H17N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2
InChIKey
OKZYNEJPWCDXSG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1NCC(C1)c1ccccc1
Isomeric Smiles
N1C(CC(C1)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.25813004
LogD (pH = 7.4)
0.5029778
Log P
3.495936
Molar Refractivity
71.0838
Polarizability
28.10651
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...