Molecule

ID:97239

General Information
Structure
Molecular Formula
C₂HCl₂FO
Molecular Mass
130.9331432
Exact Mass
129.93884823
Charge
0
InChI
InChI=1S/C2HCl2FO/c3-1(5)2(4)6/h1H
InChIKey
VZJVRCWSIVAASQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Cl)F
Isomeric Smiles
ClC(=O)C(Cl)F
Calculated Properties
JChem
Acid pKa
13.92695
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1580851
LogD (pH = 7.4)
1.158085
Log P
1.1580851
Molar Refractivity
21.5595
Polarizability
8.39983
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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