Molecule

ID:90675

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClN
Molecular Mass
248.54734
Exact Mass
246.97633904
Charge
0
InChI
InChI=1S/C9H10BrN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKey
RQFJXDYDGAAUPO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1C1(N)CC1.Cl
Isomeric Smiles
Brc1c(cccc1)C1(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.71758085
LogD (pH = 7.4)
0.31465825
Log P
2.2571
Molar Refractivity
49.255
Polarizability
19.367945
Polar Surface Area
26.02
Rotatable Bonds
1
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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