Molecule

ID:84385

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrCl₂N₃
Molecular Mass
323.0165
Exact Mass
320.9435147
Charge
0
InChI
InChI=1S/C10H10Cl2N3.BrH/c1-15(3-2-13-7-15)6-8-4-9(11)14-10(12)5-8;/h2-5,7H,6H2,1H3;1H/q+1;/p-1
InChIKey
NFRWLDAFNHDREJ-UHFFFAOYSA-M
Canonic Smiles
Clc1cc(cc(n1)Cl)C[N+]1(C)C=NC=C1.[Br-]
Isomeric Smiles
[N+]1(C=NC=C1)(Cc1cc(nc(c1)Cl)Cl)C.[Br-]
Calculated Properties
JChem
Acid pKa
15.312888
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.9618118
LogD (pH = 7.4)
-1.9618118
Log P
-1.9618118
Molar Refractivity
74.6307
Polarizability
23.750776
Polar Surface Area
25.25
Rotatable Bonds
2
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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