Molecule

ID:13773

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₃NO₂
Molecular Mass
274.0240696
Exact Mass
272.95711839
Charge
0
InChI
InChI=1S/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(9)6(10)7(3)14(15)16/h2H,1H3
InChIKey
IBRWCYHTODRXJR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(C)c(cc(c1Cl)Cl)C(F)(F)F
Isomeric Smiles
c1(c(c(c(cc1C(F)(F)F)Cl)Cl)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5125895
LogD (pH = 7.4)
4.5125895
Log P
4.5125895
Molar Refractivity
53.003
Polarizability
19.42509
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
No Data Available
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Molecule Details
References
Bioactivity
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