Molecule

ID:68219

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClN
Molecular Mass
248.54734
Exact Mass
246.97633904
Charge
0
InChI
InChI=1S/C9H10BrN.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h1-2,5,11H,3-4,6H2;1H
InChIKey
ACCAGQFPUZGNNN-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)CCNC2.Cl
Isomeric Smiles
C1NCCc2cc(ccc12)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.781886
LogD (pH = 7.4)
0.5115139
Log P
2.3402357
Molar Refractivity
50.2384
Polarizability
19.293858
Polar Surface Area
12.03
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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