Molecule

ID:96237

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClF₃NO₄
Molecular Mass
249.5722896
Exact Mass
249.00157005
Charge
0
InChI
InChI=1S/C6H7ClF3NO4/c1-15-4(13)5(14,6(8,9)10)11-3(12)2-7/h14H,2H2,1H3,(H,11,12)
InChIKey
KVJUINQSGSYVKS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NC(C(F)(F)F)(C(=O)OC)O
Isomeric Smiles
N(C(C(F)(F)F)(C(=O)OC)O)C(=O)CCl
Calculated Properties
JChem
Acid pKa
5.804149
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.33173516
LogD (pH = 7.4)
-0.55377764
Log P
0.48416662
Molar Refractivity
41.7073
Polarizability
16.367136
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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