Molecule

ID:24085

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClFNO₂
Molecular Mass
309.7630832
Exact Mass
309.09318469
Charge
0
InChI
InChI=1S/C16H16FNO2.ClH/c17-14-4-2-1-3-13(14)7-8-18-10-12-5-6-15-16(9-12)20-11-19-15;/h1-6,9,18H,7-8,10-11H2;1H
InChIKey
ROHRXJFODCWFKT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CCNCc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12c(ccc(c1)CNCCc1c(cccc1)F)OCO2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.15635255
LogD (pH = 7.4)
1.3381523
Log P
3.3106644
Molar Refractivity
74.6569
Polarizability
29.009748
Polar Surface Area
30.49
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