Molecule

ID:50737

General Information
Structure
Molecular Formula
C₇HCl₃F₃NO
Molecular Mass
278.4431496
Exact Mass
276.90758136
Charge
0
InChI
InChI=1S/C7HCl3F3NO/c8-4-3(6(10)15)2(7(11,12)13)1-14-5(4)9/h1H
InChIKey
JQEXRQYVEPQNBH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(Cl)c(Cl)ncc1C(F)(F)F
Isomeric Smiles
c1(c(C(F)(F)F)cnc(c1Cl)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.252601
LogD (pH = 7.4)
3.252601
Log P
3.252601
Molar Refractivity
51.6604
Polarizability
18.840334
Polar Surface Area
29.96
Rotatable Bonds
2
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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