Molecule

ID:51390

General Information
Structure
MolImage
Molecular Formula
C₇HCl₂F₄NO₂
Molecular Mass
277.9879528
Exact Mass
276.93204652
Charge
0
InChI
InChI=1S/C7HCl2F4NO2/c8-4-2(7(11,12)13)1-3(10)5(9)6(4)14(15)16/h1H
InChIKey
REKUKXLXYLUJGT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)c(cc(c1Cl)F)C(F)(F)F
Isomeric Smiles
C(c1c(c(c(c(c1)F)Cl)[N+](=O)[O-])Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1418695
LogD (pH = 7.4)
4.1418695
Log P
4.1418695
Molar Refractivity
49.1824
Polarizability
17.74043
Polar Surface Area
45.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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