Molecule

ID:64021

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃BrN₂
Molecular Mass
265.14902
Exact Mass
264.02621043
Charge
0
InChI
InChI=1S/C12H13BrN2/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4,15H,5-8H2
InChIKey
NWSFSVGHKAZFLS-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCNCC1)c1ccc(cc1)Br
Isomeric Smiles
N#CC1(CCNCC1)c1ccc(Br)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6521353
LogD (pH = 7.4)
0.80204296
Log P
2.3967519
Molar Refractivity
64.2734
Polarizability
24.739658
Polar Surface Area
35.82
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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