Molecule

ID:21949

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrClN
Molecular Mass
206.4676
Exact Mass
204.92938885
Charge
0
InChI
InChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKey
ISESOOISZHSENQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C)Br
Isomeric Smiles
Brc1c(C)cc(nc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8619664
LogD (pH = 7.4)
2.8619692
Log P
2.8619692
Molar Refractivity
42.4312
Polarizability
16.059074
Polar Surface Area
12.89
Rotatable Bonds
0
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
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References
Bioactivity
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