Molecule

ID:51689

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅BrN₂O₂
Molecular Mass
299.1637
Exact Mass
298.03168973
Charge
0
InChI
InChI=1S/C12H15BrN2O2/c1-12(2,3)11(16)15-6-7-17-10-8(15)4-5-9(13)14-10/h4-5H,6-7H2,1-3H3
InChIKey
GSNJTWSMKVIJNQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCOc2c1ccc(n2)Br
Isomeric Smiles
c12c(N(CCO1)C(=O)C(C)(C)C)ccc(n2)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8964221
LogD (pH = 7.4)
2.8964221
Log P
2.8964221
Molar Refractivity
68.8551
Polarizability
26.390463
Polar Surface Area
42.43
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
Molecule Details
References
Bioactivity
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