Molecule

ID:23465

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂O₃
Molecular Mass
334.79736
Exact Mass
334.10842016
Charge
0
InChI
InChI=1S/C17H19ClN2O3/c1-2-22-9-10-23-14-6-3-12(4-7-14)17(21)20-13-5-8-15(18)16(19)11-13/h3-8,11H,2,9-10,19H2,1H3,(H,20,21)
InChIKey
DPTPSBZZXUPEHL-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1ccc(cc1)OCCOCC
Calculated Properties
JChem
Acid pKa
12.700057
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.992142
LogD (pH = 7.4)
2.9924052
Log P
2.9924104
Molar Refractivity
93.352
Polarizability
34.691246
Polar Surface Area
73.58
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