Molecule

ID:41524

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃NO
Molecular Mass
211.5689096
Exact Mass
211.00117613
Charge
0
InChI
InChI=1S/C7H5ClF3NO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2
InChIKey
UCFTYLMKCJPWBX-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cc(Cl)ccc1N)(F)F
Isomeric Smiles
c1c(cc(c(c1)N)OC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1788344
LogD (pH = 7.4)
3.1794682
Log P
3.179476
Molar Refractivity
38.6335
Polarizability
15.459044
Polar Surface Area
35.25
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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