Molecule

ID:20196

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClF₃NO
Molecular Mass
287.6648696
Exact Mass
287.03247625
Charge
0
InChI
InChI=1S/C13H9ClF3NO/c14-10-3-1-2-4-12(10)19-11-6-5-8(18)7-9(11)13(15,16)17/h1-7H,18H2
InChIKey
LUMXIIXLZHTDJI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1ccccc1Cl
Isomeric Smiles
c1(C(F)(F)F)c(Oc2c(Cl)cccc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1238837
LogD (pH = 7.4)
4.126467
Log P
4.1265
Molar Refractivity
67.7777
Polarizability
24.820469
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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