Molecule

ID:94593

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClF₃
Molecular Mass
142.5068896
Exact Mass
141.9797124
Charge
0
InChI
InChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1H2
InChIKey
NTBUBNMKBVNZBB-UHFFFAOYSA-N
Canonic Smiles
FC1=C(Cl)CC1(F)F
Isomeric Smiles
ClC1=C(F)C(C1)(F)F
Calculated Properties
JChem
Acid pKa
16.36538
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.510345
LogD (pH = 7.4)
1.510345
Log P
1.510345
Molar Refractivity
24.2824
Polarizability
8.732621
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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