Molecule

ID:10012

General Information
Structure
MolImage
Molecular Formula
C₂HBrF₂O₂
Molecular Mass
174.9289464
Exact Mass
173.91279771
Charge
0
InChI
InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
LZCMQBRCQWOSHZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Br)(F)F
Isomeric Smiles
O=C(C(F)(F)Br)O
Calculated Properties
JChem
Acid pKa
0.78479344
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2360017
LogD (pH = 7.4)
-2.263069
Log P
1.2660424
Molar Refractivity
21.2972
Polarizability
8.378873
Polar Surface Area
37.3
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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