Molecule

ID:79278

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N₃
Molecular Mass
240.08868
Exact Mass
239.0017026
Charge
0
InChI
InChI=1S/C10H7Cl2N3/c11-8-6-9(12)15-10(14-8)13-7-4-2-1-3-5-7/h1-6H,(H,13,14,15)
InChIKey
QMVNQNGMZAIUMI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)nc(n1)Nc1ccccc1
Isomeric Smiles
n1c(nc(cc1Cl)Cl)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
12.7401905
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8168907
LogD (pH = 7.4)
3.816889
Log P
3.816891
Molar Refractivity
62.8867
Polarizability
23.181234
Polar Surface Area
37.81
Rotatable Bonds
2
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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