Molecule

ID:100416

General Information
Structure
MolImage
Molecular Formula
C₅BrF₉O
Molecular Mass
326.9425288
Exact Mass
325.8988806
Charge
0
InChI
InChI=1S/C5BrF9O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15
InChIKey
CJRZVDYMJZXUDK-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
BrC(=O)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6942935
LogD (pH = 7.4)
3.6942935
Log P
3.6942935
Molar Refractivity
34.1153
Polarizability
13.587618
Polar Surface Area
17.07
Rotatable Bonds
4
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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