Molecule

ID:54906

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂N₃O
Molecular Mass
192.00282
Exact Mass
190.96531709
Charge
0
InChI
InChI=1S/C5H3Cl2N3O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)
InChIKey
INAVTYBULIFSLK-UHFFFAOYSA-N
Canonic Smiles
O=CNc1c(Cl)ncnc1Cl
Isomeric Smiles
C(=O)Nc1c(ncnc1Cl)Cl
Calculated Properties
JChem
Acid pKa
10.778735
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8871886
LogD (pH = 7.4)
0.8870183
Log P
0.8871908
Molar Refractivity
44.827
Polarizability
15.712641
Polar Surface Area
54.88
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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