Molecule

ID:71447

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂N₃O
Molecular Mass
192.00282
Exact Mass
190.96531709
Charge
0
InChI
InChI=1S/C5H3Cl2N3O/c6-3-2(4(8)11)1-9-5(7)10-3/h1H,(H2,8,11)
InChIKey
OACCNUGECQQVLB-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)C(=O)N
Isomeric Smiles
c1(nc(c(cn1)C(=O)N)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.39303
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.63314843
LogD (pH = 7.4)
0.63318735
Log P
0.63314795
Molar Refractivity
43.1654
Polarizability
15.581381
Polar Surface Area
68.87
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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