Molecule

ID:51402

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₃NO₂
Molecular Mass
225.5524296
Exact Mass
224.98044068
Charge
0
InChI
InChI=1S/C7H3ClF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H
InChIKey
DDNRGAUZMIFKQS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
C(c1c(cc(cc1)Cl)[N+](=O)[O-])(F)(F)F
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
44.1612
Polarizability
15.660015
Polar Surface Area
45.82
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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