Molecule

ID:88930

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrClN
Molecular Mass
242.4997
Exact Mass
240.92938885
Charge
0
InChI
InChI=1S/C9H5BrClN/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
InChIKey
NRBXCMIOQORNNX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)cccc2Br
Isomeric Smiles
n1c(ccc2c(cccc12)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.723874
LogD (pH = 7.4)
3.723875
Log P
3.723875
Molar Refractivity
53.4682
Polarizability
21.599258
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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