Molecule

ID:6466

General Information
Structure
MolImage
Molecular Formula
C₃H₄BrF₃O
Molecular Mass
192.9624696
Exact Mass
191.93976141
Charge
0
InChI
InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2
InChIKey
VBHIIZIQRDVGDH-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(F)(F)F)O
Isomeric Smiles
OC(CBr)C(F)(F)F
Calculated Properties
JChem
Acid pKa
10.85613
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3462695
LogD (pH = 7.4)
1.3461196
Log P
1.3462714
Molar Refractivity
25.7084
Polarizability
9.937744
Polar Surface Area
20.23
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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