Molecule

ID:89702

General Information
Structure
Molecular Formula
C₂HCl₃O
Molecular Mass
147.38774
Exact Mass
145.90929769
Charge
0
InChI
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
InChIKey
FBCCMZVIWNDFMO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Cl)Cl
Isomeric Smiles
O=C(C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
14.721033
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5915122
LogD (pH = 7.4)
1.5915122
Log P
1.5915122
Molar Refractivity
26.478
Polarizability
10.391721
Polar Surface Area
17.07
Rotatable Bonds
1
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
References
Bioactivity
Navigation