Molecule

ID:51783

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrN₂O
Molecular Mass
271.1536
Exact Mass
270.03677511
Charge
0
InChI
InChI=1S/C11H15BrN2O/c1-11(2,3)7-14-10(15)8-4-5-9(12)13-6-8/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
HEAHOFMAKWSCTD-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cn1)C(=O)NCC(C)(C)C
Isomeric Smiles
C(=O)(c1cnc(cc1)Br)NCC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.687028
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.426467
LogD (pH = 7.4)
2.4264681
Log P
2.4264684
Molar Refractivity
64.4835
Polarizability
24.338093
Polar Surface Area
41.99
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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