Molecule

ID:91251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Br₂N₂O
Molecular Mass
340.05484
Exact Mass
337.96293714
Charge
0
InChI
InChI=1S/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
InChIKey
YWZWSACJABVWJL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1N1CCNCC1.Br.Br
Isomeric Smiles
N1(c2ccccc2O)CCNCC1.Br.Br
Calculated Properties
JChem
Acid pKa
10.219043
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.747342
LogD (pH = 7.4)
-0.211269
Log P
1.000945
Molar Refractivity
53.2229
Polarizability
20.236729
Polar Surface Area
35.5
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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