Molecule

ID:78058

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrN₂O
Molecular Mass
267.12184
Exact Mass
266.00547498
Charge
0
InChI
InChI=1S/C11H11BrN2O/c12-10-2-4-11(5-3-10)15-9-8-14-7-1-6-13-14/h1-7H,8-9H2
InChIKey
BRGYKVOROQGFLJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)OCCn1cccn1
Isomeric Smiles
n1(nccc1)CCOc1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8137784
LogD (pH = 7.4)
2.8139064
Log P
2.813908
Molar Refractivity
73.1364
Polarizability
23.800238
Polar Surface Area
27.05
Rotatable Bonds
4
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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