Molecule

ID:9007

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₂F₃NO₂
Molecular Mass
259.9974896
Exact Mass
258.94146833
Charge
0
InChI
InChI=1S/C7H2Cl2F3NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H
InChIKey
VLVNHMVSVDVAOA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(c(cc1Cl)Cl)C(F)(F)F
Isomeric Smiles
c1(c(cc(c(c1)C(F)(F)F)Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.999168
LogD (pH = 7.4)
3.999168
Log P
3.999168
Molar Refractivity
47.9618
Polarizability
17.720722
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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