Molecule

ID:61706

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClN
Molecular Mass
216.46242
Exact Mass
214.91373878
Charge
0
InChI
InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
YWTKUWXYQQZSIL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)Cl)Br
Isomeric Smiles
C(#N)c1cc(c(cc1)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2021394
LogD (pH = 7.4)
3.2021394
Log P
3.2021394
Molar Refractivity
44.2072
Polarizability
16.951902
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
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References
Bioactivity
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