Molecule

ID:75885

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂
Molecular Mass
283.20736
Exact Mass
282.07316062
Charge
0
InChI
InChI=1S/C13H19BrN2/c1-15-6-3-7-16(9-8-15)11-12-4-2-5-13(14)10-12/h2,4-5,10H,3,6-9,11H2,1H3
InChIKey
XUIRKBKKWOVRIJ-UHFFFAOYSA-N
Canonic Smiles
CN1CCCN(CC1)Cc1cccc(c1)Br
Isomeric Smiles
Brc1cccc(c1)CN1CCN(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.67311275
LogD (pH = 7.4)
0.8887248
Log P
2.5904746
Molar Refractivity
73.139
Polarizability
28.216375
Polar Surface Area
6.48
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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