Molecule

ID:62076

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂
Molecular Mass
283.20736
Exact Mass
282.07316062
Charge
0
InChI
InChI=1S/C13H19BrN2/c1-10(2)16-8-4-5-11(9-16)12-6-3-7-13(14)15-12/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKey
BSQBPZQNXYQCLS-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC(C1)c1cccc(n1)Br)C
Isomeric Smiles
N1(CC(c2nc(Br)ccc2)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1517293
LogD (pH = 7.4)
2.839459
Log P
3.2771344
Molar Refractivity
71.6973
Polarizability
27.639364
Polar Surface Area
16.13
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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