Molecule

ID:84384

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇BrCl₂N₂
Molecular Mass
376.11888
Exact Mass
373.99521591
Charge
0
InChI
InChI=1S/C15H17Cl2N2.BrH/c1-19(2,10-12-6-4-3-5-7-12)11-13-8-14(16)18-15(17)9-13;/h3-9H,10-11H2,1-2H3;1H/q+1;/p-1
InChIKey
VSVOZTCNRZCZKI-UHFFFAOYSA-M
Canonic Smiles
Clc1nc(Cl)cc(c1)C[N+](Cc1ccccc1)(C)C.[Br-]
Isomeric Smiles
n1c(cc(cc1Cl)C[N+](Cc1ccccc1)(C)C)Cl.[Br-]
Calculated Properties
JChem
Acid pKa
16.066914
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.092449635
LogD (pH = 7.4)
-0.092449635
Log P
-0.092449635
Molar Refractivity
94.7022
Polarizability
31.69483
Polar Surface Area
12.89
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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