Molecule

ID:6829

General Information
Structure
MolImage
Molecular Formula
C₂BrClF₂
Molecular Mass
177.3752064
Exact Mass
175.88399612
Charge
0
InChI
InChI=1S/C2BrClF2/c3-1(4)2(5)6
InChIKey
NBYWEYFBDHRDOS-UHFFFAOYSA-N
Canonic Smiles
FC(=C(Br)Cl)F
Isomeric Smiles
C(=C(Cl)Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.19034
LogD (pH = 7.4)
2.19034
Log P
2.19034
Molar Refractivity
44.1039
Polarizability
9.163357
Polar Surface Area
0.0
Rotatable Bonds
0
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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