Molecule

ID:54920

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂N₃
Molecular Mass
188.01412
Exact Mass
186.97040247
Charge
0
InChI
InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H
InChIKey
MVTLFDKTYGKJEX-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)cc[nH]2
Isomeric Smiles
c1(nc2c(c(n1)Cl)[nH]cc2)Cl
Calculated Properties
JChem
Acid pKa
12.255313
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.26712
LogD (pH = 7.4)
2.2671142
Log P
2.26712
Molar Refractivity
44.8015
Polarizability
17.730284
Polar Surface Area
41.57
Rotatable Bonds
0
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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