Molecule

ID:83982

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClNO
Molecular Mass
220.45112
Exact Mass
218.9086534
Charge
0
InChI
InChI=1S/C6H3BrClNO/c7-5-1-4(6(8)10)2-9-3-5/h1-3H
InChIKey
FMDREJRIXNEGEG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(Br)cnc1
Isomeric Smiles
n1cc(cc(c1)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7151661
LogD (pH = 7.4)
1.7152376
Log P
1.7152386
Molar Refractivity
42.6386
Polarizability
16.243618
Polar Surface Area
29.96
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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