Molecule

ID:94268

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₃NO₂
Molecular Mass
274.0240696
Exact Mass
272.95711839
Charge
0
InChI
InChI=1S/C8H4Cl2F3NO2/c1-3-2-4(14(15)16)5(8(11,12)13)7(10)6(3)9/h2H,1H3
InChIKey
OYSBIXQLDVJQSM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C)c(c(c1C(F)(F)F)Cl)Cl
Isomeric Smiles
FC(c1c(c(c(cc1[N+](=O)[O-])C)Cl)Cl)(F)F
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
54.0072
Polarizability
19.414518
Polar Surface Area
45.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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