Molecule

ID:13980

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉BrFNO₂
Molecular Mass
356.2299632
Exact Mass
355.05831907
Charge
0
InChI
InChI=1S/C16H18FNO2.BrH/c1-19-15-8-5-13(16(9-15)20-2)11-18-10-12-3-6-14(17)7-4-12;/h3-9,18H,10-11H2,1-2H3;1H
InChIKey
NEIWABMEZVDLKH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CNCc1ccc(cc1)F.Br
Isomeric Smiles
c1(ccc(cc1OC)OC)CNCc1ccc(cc1)F.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.43998164
LogD (pH = 7.4)
2.1615703
Log P
3.0834272
Molar Refractivity
77.0614
Polarizability
29.809265
Polar Surface Area
30.49
Rotatable Bonds
6
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