Molecule

ID:75771

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂BrNO₂
Molecular Mass
270.12248
Exact Mass
269.00514063
Charge
0
InChI
InChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKey
ZVHMYYPSUJGLHH-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=O)N1CCOCC1
Isomeric Smiles
N1(C(=O)c2cc(ccc2)Br)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8214903
LogD (pH = 7.4)
1.8214904
Log P
1.8214904
Molar Refractivity
61.6271
Polarizability
23.351973
Polar Surface Area
29.54
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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