Molecule

ID:64607

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrClN
Molecular Mass
242.4997
Exact Mass
240.92938885
Charge
0
InChI
InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
InChIKey
HRWILRGBDZGABZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c2c1cccc2)Br
Isomeric Smiles
n1c(c2c(c(c1)Br)cccc2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3380237
LogD (pH = 7.4)
3.3380246
Log P
3.3380246
Molar Refractivity
53.8402
Polarizability
21.60438
Polar Surface Area
12.89
Rotatable Bonds
0
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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