Molecule

ID:29352

General Information
Structure
Molecular Formula
C₂₀H₂₃Cl₂NO₃
Molecular Mass
396.30752
Exact Mass
395.10549896
Charge
0
InChI
InChI=1S/C20H23Cl2NO3/c1-14(26-20-9-4-15(21)11-19(20)22)12-23-16-5-7-17(8-6-16)25-13-18-3-2-10-24-18/h4-9,11,14,18,23H,2-3,10,12-13H2,1H3
InChIKey
CTXPUPGFWDXUNS-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1Cl)Cl)CNc1ccc(cc1)OCC1CCCO1
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)OC(CNc1ccc(OCC2OCCC2)cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.80275
LogD (pH = 7.4)
4.9729867
Log P
4.9756556
Molar Refractivity
105.5503
Polarizability
40.879982
Polar Surface Area
39.72
Rotatable Bonds
8
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