Molecule

ID:43005

General Information
Structure
Molecular Formula
C₁₁H₇ClF₃NO
Molecular Mass
261.6275896
Exact Mass
261.01682619
Charge
0
InChI
InChI=1S/C11H7ClF3NO/c1-17-8-4-2-3-6-7(12)5-9(11(13,14)15)16-10(6)8/h2-5H,1H3
InChIKey
CIUAHBMLDPHHPA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1nc(cc2Cl)C(F)(F)F
Isomeric Smiles
c12c(nc(cc1Cl)C(F)(F)F)c(ccc2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8409727
LogD (pH = 7.4)
3.8409727
Log P
3.8409727
Molar Refractivity
56.849
Polarizability
22.455729
Polar Surface Area
22.12
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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