Molecule

ID:65011

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClN
Molecular Mass
248.54734
Exact Mass
246.97633904
Charge
0
InChI
InChI=1S/C9H10BrN.ClH/c10-9-2-1-7-3-4-11-6-8(7)5-9;/h1-2,5,11H,3-4,6H2;1H
InChIKey
GAQFCKRSCLDDJH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)CNCC2.Cl
Isomeric Smiles
c1cc(cc2c1CCNC2)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7735641
LogD (pH = 7.4)
0.5432962
Log P
2.3402357
Molar Refractivity
50.2384
Polarizability
19.293755
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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