Molecule

ID:75766

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O
Molecular Mass
269.13772
Exact Mass
268.02112505
Charge
0
InChI
InChI=1S/C11H13BrN2O/c12-9-4-5-10(13-8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKey
LXRFKLKDVHGHIC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)C(=O)N1CCCCC1
Isomeric Smiles
N1(C(=O)c2ncc(cc2)Br)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0585346
LogD (pH = 7.4)
2.0585349
Log P
2.0585349
Molar Refractivity
62.1657
Polarizability
23.592178
Polar Surface Area
33.2
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
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Molecule Details
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References
Bioactivity
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