Molecule

ID:62077

General Information
Structure
Molecular Formula
C₁₃H₁₉BrN₂
Molecular Mass
283.20736
Exact Mass
282.07316062
Charge
0
InChI
InChI=1S/C13H19BrN2/c1-10(2)16-7-6-11(9-16)8-12-4-3-5-13(14)15-12/h3-5,10-11H,6-9H2,1-2H3
InChIKey
GRYQCTJCNVOPCQ-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCC(C1)Cc1cccc(n1)Br)C
Isomeric Smiles
N1(CC(Cc2nc(Br)ccc2)CC1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.48113427
LogD (pH = 7.4)
0.655249
Log P
2.9432135
Molar Refractivity
71.7484
Polarizability
27.640516
Polar Surface Area
16.13
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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