Molecule

ID:99247

General Information
Structure
MolImage
Molecular Formula
C₄BrF₇O
Molecular Mass
276.9350224
Exact Mass
275.90207416
Charge
0
InChI
InChI=1S/C4BrF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey
PJYLUIOQPJDGIG-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(C(F)(F)C(C(=O)Br)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9936507
LogD (pH = 7.4)
2.9936507
Log P
2.9936507
Molar Refractivity
29.4473
Polarizability
11.675263
Polar Surface Area
17.07
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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