Molecule

ID:90673

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃BrClN
Molecular Mass
250.56322
Exact Mass
248.9919891
Charge
0
InChI
InChI=1S/C9H12BrN.ClH/c1-9(2,11)7-5-3-4-6-8(7)10;/h3-6H,11H2,1-2H3;1H
InChIKey
WXLLAWSXTDDVML-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1C(N)(C)C.Cl
Isomeric Smiles
Brc1c(cccc1)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4423177
LogD (pH = 7.4)
0.2993908
Log P
2.5649185
Molar Refractivity
51.2112
Polarizability
20.077837
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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