Molecule

ID:28884

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3
InChIKey
JMUDYTLZQVUDLG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)NCc1ccccc1
Isomeric Smiles
c1(NCc2ccccc2)c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6876693
LogD (pH = 7.4)
4.7104626
Log P
4.710761
Molar Refractivity
75.988
Polarizability
28.280035
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
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