Molecule

ID:84383

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇BrCl₂N₂
Molecular Mass
376.11888
Exact Mass
373.99521591
Charge
0
InChI
InChI=1S/C15H17Cl2N2.BrH/c1-15(2,3)12-4-6-19(7-5-12)10-11-8-13(16)18-14(17)9-11;/h4-9H,10H2,1-3H3;1H/q+1;/p-1
InChIKey
CUBDWRCUNCMKPK-UHFFFAOYSA-M
Canonic Smiles
CC(c1cc[n+](cc1)Cc1cc(Cl)nc(c1)Cl)(C)C.[Br-]
Isomeric Smiles
[n+]1(ccc(cc1)C(C)(C)C)Cc1cc(nc(c1)Cl)Cl.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.5125057
LogD (pH = 7.4)
0.5125057
Log P
0.5125057
Molar Refractivity
82.9103
Polarizability
31.272585
Polar Surface Area
16.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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