Molecule

ID:112976

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrClF
Molecular Mass
223.4700032
Exact Mass
221.92471806
Charge
0
InChI
InChI=1S/C7H5BrClF/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,4H2
InChIKey
OPMKPLUMLVBPET-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(F)ccc1Br
Isomeric Smiles
c1(c(ccc(c1)F)Br)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4719424
LogD (pH = 7.4)
3.4719424
Log P
3.4719424
Molar Refractivity
43.7641
Polarizability
16.683668
Polar Surface Area
0.0
Rotatable Bonds
1
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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