Molecule

ID:20210

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClF₃NO
Molecular Mass
287.6648696
Exact Mass
287.03247625
Charge
0
InChI
InChI=1S/C13H9ClF3NO/c14-8-2-1-3-10(6-8)19-12-5-4-9(18)7-11(12)13(15,16)17/h1-7H,18H2
InChIKey
IXXKBKWDKTUOIV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cccc(c1)Cl
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc(Cl)ccc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.123754
LogD (pH = 7.4)
4.1264653
Log P
4.1265
Molar Refractivity
67.7777
Polarizability
24.803009
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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