Molecule

ID:32438

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrClNO
Molecular Mass
222.467
Exact Mass
220.92430347
Charge
0
InChI
InChI=1S/C6H5BrClNO/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3
InChIKey
GFJMOZYIDADKLJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)cnc1Cl
Isomeric Smiles
c1(cnc(c(c1)OC)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1908762
LogD (pH = 7.4)
2.1908765
Log P
2.1908765
Molar Refractivity
43.8532
Polarizability
16.917845
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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