Molecule

ID:67979

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrClN
Molecular Mass
206.4676
Exact Mass
204.92938885
Charge
0
InChI
InChI=1S/C6H5BrClN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKey
YJOULMMJZAADRY-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(nc1)Cl
Isomeric Smiles
c1(ccc(cn1)CBr)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.352523
LogD (pH = 7.4)
2.3525324
Log P
2.3525326
Molar Refractivity
42.6176
Polarizability
16.03301
Polar Surface Area
12.89
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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