Molecule

ID:40211

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₃NO₂
Molecular Mass
268.52432
Exact Mass
266.96206154
Charge
0
InChI
InChI=1S/C9H8Cl3NO2/c1-2-7(14)5-3-6(13-4-5)8(15)9(10,11)12/h3-4,13H,2H2,1H3
InChIKey
LCPFRWWWCIWDTO-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1c[nH]c(c1)C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
c1(C(=O)C(Cl)(Cl)Cl)cc(c[nH]1)C(=O)CC
Calculated Properties
JChem
Acid pKa
10.269152
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5413432
LogD (pH = 7.4)
2.5407856
Log P
2.5413504
Molar Refractivity
61.6414
Polarizability
23.087994
Polar Surface Area
49.93
Rotatable Bonds
4
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