Molecule

ID:75489

General Information
Structure
Molecular Formula
C₇H₆BrClN₂
Molecular Mass
233.49294
Exact Mass
231.94028788
Charge
0
InChI
InChI=1S/C7H5BrN2.ClH/c8-6-1-2-7-9-3-4-10(7)5-6;/h1-5H;1H
InChIKey
DTZWDZLYLZJYEW-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2n(c1)ccn2.Cl
Isomeric Smiles
n1c2n(cc1)cc(cc2)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7332202
LogD (pH = 7.4)
1.4768006
Log P
1.5283021
Molar Refractivity
43.5592
Polarizability
16.124716
Polar Surface Area
17.3
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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