Molecule

ID:6573

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrF₂NO₂
Molecular Mass
237.9863864
Exact Mass
236.92369675
Charge
0
InChI
InChI=1S/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey
GJFYMYJYPARISZ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc([N+](=O)[O-])c(cc1Br)F
Isomeric Smiles
c1([N+](=O)[O-])cc(c(cc1F)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9673865
LogD (pH = 7.4)
2.9673865
Log P
2.9673865
Molar Refractivity
40.4341
Polarizability
15.07599
Polar Surface Area
43.14
Rotatable Bonds
1
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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