Molecule

ID:74267

General Information
Structure
MolImage
Molecular Formula
C₄H₅Cl₃O₂
Molecular Mass
191.4403
Exact Mass
189.93551244
Charge
0
InChI
InChI=1S/C4H5Cl3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChIKey
KXPULUVMTDIQOQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(Cl)(Cl)Cl
Isomeric Smiles
OC(=O)CCC(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
3.210969
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5350028
LogD (pH = 7.4)
-1.7115133
Log P
1.7319801
Molar Refractivity
37.1593
Polarizability
14.504893
Polar Surface Area
37.3
Rotatable Bonds
3
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