Molecule

ID:64620

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClNO
Molecular Mass
264.54674
Exact Mass
262.97125366
Charge
0
InChI
InChI=1S/C9H10BrNO.ClH/c10-7-2-1-6-4-12-5-9(11)8(6)3-7;/h1-3,9H,4-5,11H2;1H
InChIKey
ZMGMZLVFQWJVGW-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(N)COC2.Cl
Isomeric Smiles
c12c(ccc(c1)Br)COCC2N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2321823
LogD (pH = 7.4)
0.17339985
Log P
1.6317858
Molar Refractivity
51.4225
Polarizability
20.111149
Polar Surface Area
35.25
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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