Molecule

ID:8833

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrClF₂O
Molecular Mass
271.4864464
Exact Mass
269.92586093
Charge
0
InChI
InChI=1S/C8H6BrClF2O/c9-6-3-5(11)4-7(12)8(6)13-2-1-10/h3-4H,1-2H2
InChIKey
QRNJNYWUYRMEPW-UHFFFAOYSA-N
Canonic Smiles
ClCCOc1c(F)cc(cc1Br)F
Isomeric Smiles
O(c1c(cc(cc1Br)F)F)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.534221
LogD (pH = 7.4)
3.534221
Log P
3.534221
Molar Refractivity
49.9201
Polarizability
19.16625
Polar Surface Area
9.23
Rotatable Bonds
3
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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