Molecule

ID:41587

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₃NO
Molecular Mass
228.50352
Exact Mass
226.96714692
Charge
0
InChI
InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKey
HFZNWDNDGDEBBV-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1Cl)Cl.Cl
Isomeric Smiles
c1c(ccc(c1Cl)CON)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5582426
LogD (pH = 7.4)
2.5698764
Log P
2.5700269
Molar Refractivity
46.5532
Polarizability
18.17026
Polar Surface Area
35.25
Rotatable Bonds
2
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