Molecule

ID:70929

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClF₃N
Molecular Mass
209.5960896
Exact Mass
209.02191157
Charge
0
InChI
InChI=1S/C8H7ClF3N/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7H,13H2
InChIKey
VWKRJAXYSCHDKI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(C(F)(F)F)N
Isomeric Smiles
C(C(F)(F)F)(N)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.646479
LogD (pH = 7.4)
2.7169456
Log P
2.7179222
Molar Refractivity
44.4565
Polarizability
16.788862
Polar Surface Area
26.02
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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