Molecule

ID:95657

General Information
Structure
Molecular Formula
C₁₁H₈Cl₃F₃N₂O₂
Molecular Mass
363.5476296
Exact Mass
361.96034521
Charge
0
InChI
InChI=1S/C11H8Cl3F3N2O2/c1-21-7-3-5(11(15,16)17)2-6(4-7)18-10(20)19-9(14)8(12)13/h2-4H,1H3,(H2,18,19,20)
InChIKey
WUNQNZLJTFLRAU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(NC(=O)NC(=C(Cl)Cl)Cl)cc(c1)C(F)(F)F
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1cc(cc(c1)OC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.677433
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8916776
LogD (pH = 7.4)
3.8916574
Log P
3.8916779
Molar Refractivity
95.8733
Polarizability
27.623573
Polar Surface Area
50.36
Rotatable Bonds
4
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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