Molecule

ID:96239

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClF₄NO₃
Molecular Mass
265.5899328
Exact Mass
265.01288368
Charge
0
InChI
InChI=1S/C7H8ClF4NO3/c1-2-16-5(15)6(8,7(10,11)12)13-4(14)3-9/h2-3H2,1H3,(H,13,14)
InChIKey
HWXLGVLMENNNDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(NC(=O)CF)Cl
Isomeric Smiles
N(C(C(F)(F)F)(C(=O)OCC)Cl)C(=O)CF
Calculated Properties
JChem
Acid pKa
4.712224
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9482108
LogD (pH = 7.4)
0.63514364
Log P
1.5712326
Molar Refractivity
45.2504
Polarizability
17.361032
Polar Surface Area
55.4
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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