Molecule

ID:70506

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂BrNO₂
Molecular Mass
270.12248
Exact Mass
269.00514063
Charge
0
InChI
InChI=1S/C11H12BrNO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
SUBBMOROFINEHA-UHFFFAOYSA-N
Canonic Smiles
BrC1CN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(C1)Br)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4990554
LogD (pH = 7.4)
2.4990554
Log P
2.4990554
Molar Refractivity
60.5235
Polarizability
23.45934
Polar Surface Area
29.54
Rotatable Bonds
3
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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