Molecule

ID:90199

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₂
Molecular Mass
241.12762
Exact Mass
240.02621043
Charge
0
InChI
InChI=1S/C10H13BrN2/c11-9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2
InChIKey
YHQZMCNKHWPFBS-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(n1)N1CCCCC1
Isomeric Smiles
n1c(cccc1N1CCCCC1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2817926
LogD (pH = 7.4)
3.2827039
Log P
3.2827156
Molar Refractivity
59.2502
Polarizability
21.868725
Polar Surface Area
16.13
Rotatable Bonds
1
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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