Molecule

ID:62088

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂
Molecular Mass
283.20736
Exact Mass
282.07316062
Charge
0
InChI
InChI=1S/C13H19BrN2/c1-16-8-3-4-11(7-9-16)10-12-5-2-6-13(14)15-12/h2,5-6,11H,3-4,7-10H2,1H3
InChIKey
CSVYXRDUGFGVCF-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(CC1)Cc1cccc(n1)Br
Isomeric Smiles
n1c(Br)cccc1CC1CCN(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.41913462
LogD (pH = 7.4)
0.8167732
Log P
2.9810143
Molar Refractivity
71.86
Polarizability
27.640566
Polar Surface Area
16.13
Rotatable Bonds
2
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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