Molecule

ID:20302

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂F₃NO
Molecular Mass
324.1258096
Exact Mass
323.00915397
Charge
0
InChI
InChI=1S/C13H9ClF3NO.ClH/c14-8-1-3-9(4-2-8)19-10-5-6-12(18)11(7-10)13(15,16)17;/h1-7H,18H2;1H
InChIKey
VUSOTTHAMWOCLL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(c(c1)C(F)(F)F)N.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1ccc(Cl)cc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1262584
LogD (pH = 7.4)
4.1264973
Log P
4.1265
Molar Refractivity
67.7777
Polarizability
24.795712
Polar Surface Area
35.25
Rotatable Bonds
3
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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