Molecule

ID:55510

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂ClNO₄
Molecular Mass
375.84598
Exact Mass
375.12373587
Charge
0
InChI
InChI=1S/C20H21NO4.ClH/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13;/h5-11,22H,4,12H2,1-3H3;1H
InChIKey
OBTUDMCEULZBKV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(oc2c1c(CN(C)C)c(cc2)O)c1ccccc1.Cl
Isomeric Smiles
c1c(c(c2c(c1)oc(c2C(=O)OCC)c1ccccc1)CN(C)C)O.Cl
Calculated Properties
JChem
Acid pKa
7.6760077
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5950496
LogD (pH = 7.4)
2.096814
Log P
2.4515803
Molar Refractivity
97.2103
Polarizability
39.620136
Polar Surface Area
62.91
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