Molecule

ID:65828

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄BrNO₂
Molecular Mass
284.14906
Exact Mass
283.02079069
Charge
0
InChI
InChI=1S/C12H14BrNO2/c13-10-3-1-9(2-4-10)11(14)7-12(8-11)15-5-6-16-12/h1-4H,5-8,14H2
InChIKey
LZYMVCJDCZOUCW-UHFFFAOYSA-N
Canonic Smiles
NC1(CC2(C1)OCCO2)c1ccc(cc1)Br
Isomeric Smiles
c1c(ccc(c1)C1(N)CC2(C1)OCCO2)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.46920255
LogD (pH = 7.4)
0.49774113
Log P
2.515093
Molar Refractivity
63.6118
Polarizability
25.624653
Polar Surface Area
44.48
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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