Molecule

ID:34534

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrN
Molecular Mass
240.13956
Exact Mass
239.03096145
Charge
0
InChI
InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChIKey
ZKABWLFDCJKQRE-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)C1CCNCC1
Isomeric Smiles
c1(ccc(cc1)C1CCNCC1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.37478992
LogD (pH = 7.4)
0.28335318
Log P
2.8470633
Molar Refractivity
59.1018
Polarizability
22.951576
Polar Surface Area
12.03
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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