Molecule

ID:29935

General Information
Structure
Molecular Formula
C₇H₃ClF₃NO
Molecular Mass
209.5530296
Exact Mass
208.98552606
Charge
0
InChI
InChI=1S/C7H3ClF3NO/c8-6(13)5-2-1-4(3-12-5)7(9,10)11/h1-3H
InChIKey
XGGHEBGOZWCTKF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
C(=O)(c1ccc(cn1)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2101793
LogD (pH = 7.4)
2.2101846
Log P
2.2101848
Molar Refractivity
40.6175
Polarizability
14.703989
Polar Surface Area
29.96
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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