Molecule

ID:12649

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClFNO₂
Molecular Mass
325.8055432
Exact Mass
325.12448482
Charge
0
InChI
InChI=1S/C17H20FNO2.ClH/c1-20-16-8-5-14(11-17(16)21-2)12-19-10-9-13-3-6-15(18)7-4-13;/h3-8,11,19H,9-10,12H2,1-2H3;1H
InChIKey
NWZAFRMJYXYCIK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCc2ccc(cc2)F)ccc1OC.Cl
Isomeric Smiles
c1c(c(cc(c1)CNCCc1ccc(cc1)F)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18640469
LogD (pH = 7.4)
1.2068661
Log P
3.3720884
Molar Refractivity
81.8164
Polarizability
31.577192
Polar Surface Area
30.49
Rotatable Bonds
7
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