Molecule

ID:8684

General Information
Structure
Molecular Formula
C₃H₃Br₂F₃
Molecular Mass
255.8591296
Exact Mass
253.85535876
Charge
0
InChI
InChI=1S/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2
InChIKey
XFOCTDPLVDZSGA-UHFFFAOYSA-N
Canonic Smiles
BrCC(C(F)(F)F)Br
Isomeric Smiles
C(C(CBr)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8863585
LogD (pH = 7.4)
2.8863585
Log P
2.8863585
Molar Refractivity
31.7429
Polarizability
12.412882
Polar Surface Area
0.0
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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