Molecule

ID:98583

General Information
Structure
MolImage
Molecular Formula
C₆Br₂ClF₈N
Molecular Mass
433.3191256
Exact Mass
430.79582645
Charge
0
InChI
InChI=1S/C6Br2ClF8N/c7-3(12,2(10,11)1-18)5(14,15)4(8,13)6(9,16)17
InChIKey
LEALPJJULCBRTE-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(Cl)(F)F)(Br)F)(F)F)(Br)F)(F)F
Isomeric Smiles
ClC(C(F)(C(F)(F)C(C(C#N)(F)F)(Br)F)Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7361193
LogD (pH = 7.4)
4.7361193
Log P
4.7361193
Molar Refractivity
51.6102
Polarizability
20.024485
Polar Surface Area
23.79
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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