Molecule

ID:7535

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₃NO₂
Molecular Mass
225.5524296
Exact Mass
224.98044068
Charge
0
InChI
InChI=1S/C7H3ClF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChIKey
CZWWSPDHNLAYRJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1c(c(cc(c1)C(F)(F)F)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3951232
LogD (pH = 7.4)
3.3951232
Log P
3.3951232
Molar Refractivity
43.157
Polarizability
15.685846
Polar Surface Area
43.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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