Molecule

ID:28994

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-14-7-5-6-10-16(14)11-12-17-13-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3
InChIKey
NJVZFDFLJDKUDC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CCNCc1ccccc1
Isomeric Smiles
c1(c(CCNCc2ccccc2)cccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.84602886
LogD (pH = 7.4)
1.6385136
Log P
4.0581503
Molar Refractivity
73.7148
Polarizability
28.773382
Polar Surface Area
12.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation