Molecule

ID:48661

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BrN₂
Molecular Mass
257.17008
Exact Mass
256.05751055
Charge
0
InChI
InChI=1S/C11H17BrN2/c1-3-7-14(8-4-2)11-6-5-10(12)9-13-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
PWBJPFDSZHUZQG-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ccc(cn1)Br)CCC
Isomeric Smiles
n1c(N(CCC)CCC)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9291596
LogD (pH = 7.4)
3.984728
Log P
3.9854882
Molar Refractivity
64.8112
Polarizability
24.349325
Polar Surface Area
16.13
Rotatable Bonds
5
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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