Molecule

ID:56568

General Information
Structure
Molecular Formula
C₂₀H₁₇Cl₂NO₂
Molecular Mass
374.26048
Exact Mass
373.06363415
Charge
0
InChI
InChI=1S/C20H17Cl2NO2/c1-11(2)25-14-6-4-13(5-7-14)18-10-16(20(22)24)15-8-9-17(21)12(3)19(15)23-18/h4-11H,1-3H3
InChIKey
AVWBABAJJWMQEK-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(OC(C)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.0880613
LogD (pH = 7.4)
6.0880666
Log P
6.0880666
Molar Refractivity
101.3348
Polarizability
41.475952
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
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