Molecule

ID:75668

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrClN₂
Molecular Mass
247.51952
Exact Mass
245.95593795
Charge
0
InChI
InChI=1S/C8H7BrN2.ClH/c1-6-4-7(9)8-10-2-3-11(8)5-6;/h2-5H,1H3;1H
InChIKey
FZIAFYJNUYWRHR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Br)c2n(c1)ccn2.Cl
Isomeric Smiles
n12cc(cc(c1ncc2)Br)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4755455
LogD (pH = 7.4)
2.0227454
Log P
2.0417235
Molar Refractivity
48.6004
Polarizability
17.870787
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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