Molecule

ID:42339

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClF₃NO
Molecular Mass
227.6113696
Exact Mass
227.03247625
Charge
0
InChI
InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-6(2-4-7)5-13-12;/h1-4H,5,12H2;1H
InChIKey
XLFMFCSFMQLFAY-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1)C(F)(F)F.Cl
Isomeric Smiles
c1(ccc(cc1)CON)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.225717
LogD (pH = 7.4)
2.239606
Log P
2.239786
Molar Refractivity
42.9173
Polarizability
15.569482
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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