Molecule

ID:82057

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N₃
Molecular Mass
240.08868
Exact Mass
239.0017026
Charge
0
InChI
InChI=1S/C10H7Cl2N3/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h1-5H,13H2
InChIKey
WYMSKTBVPZTMHU-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(c1N)Cl)c1ccccc1
Isomeric Smiles
n1c(nc(c(c1Cl)N)Cl)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.597897
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.332525
LogD (pH = 7.4)
3.3325253
Log P
3.3325253
Molar Refractivity
74.566
Polarizability
23.847292
Polar Surface Area
51.8
Rotatable Bonds
1
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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