Molecule

ID:18647

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Br₂N₂
Molecular Mass
326.07132
Exact Mass
323.98367259
Charge
0
InChI
InChI=1S/C10H16N2.2BrH/c1-12(2)8-10-6-4-3-5-9(10)7-11;;/h3-6H,7-8,11H2,1-2H3;2*1H
InChIKey
HPPMIIZULDYLLQ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1CN(C)C.Br.Br
Isomeric Smiles
c1(CN(C)C)c(CN)cccc1.Br.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.006167
LogD (pH = 7.4)
-2.3367445
Log P
1.040411
Molar Refractivity
53.0741
Polarizability
20.798664
Polar Surface Area
29.26
Rotatable Bonds
3
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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