Molecule

ID:97307

General Information
Structure
Molecular Formula
C₈Br₄F₁₁N
Molecular Mass
638.6907352
Exact Mass
634.65885743
Charge
0
InChI
InChI=1S/C8Br4F11N/c9-3(15,2(13,14)1-24)6(18,19)4(10,16)7(20,21)5(11,17)8(12,22)23
InChIKey
HFCXFUSCCAPXLA-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(C(C(Br)(F)F)(Br)F)(F)F)(Br)F)(F)F)(Br)F)(F)F
Isomeric Smiles
N#CC(C(Br)(C(C(Br)(C(F)(F)C(C(F)(Br)F)(Br)F)F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.597843
LogD (pH = 7.4)
6.597843
Log P
6.597843
Molar Refractivity
71.4898
Polarizability
28.273565
Polar Surface Area
23.79
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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