Molecule

ID:73624

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrClN₃
Molecular Mass
352.6567
Exact Mass
351.01378718
Charge
0
InChI
InChI=1S/C15H14BrN3.ClH/c16-12-5-3-4-10-11(7-8-17)15(19-14(10)12)13-6-1-2-9-18-13;/h1-6,9,19H,7-8,17H2;1H
InChIKey
YZWWVWWFPQMNNU-UHFFFAOYSA-N
Canonic Smiles
NCCc1c([nH]c2c1cccc2Br)c1ccccn1.Cl
Isomeric Smiles
[nH]1c(c(c2cccc(c12)Br)CCN)c1ncccc1.Cl
Calculated Properties
JChem
Acid pKa
13.925168
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.021686632
LogD (pH = 7.4)
0.795897
Log P
2.9905944
Molar Refractivity
80.4805
Polarizability
33.35629
Polar Surface Area
54.7
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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