Molecule
ID:121712
General Information
Molecular Formula
C₁₀H₈ClN₃O₂
Molecular Mass
237.64242
Exact Mass
237.03050419
Charge
0
InChI
InChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-8(12)5-9(15)13-10(14)16/h1-5H,12H2,(H,13,15,16)
InChIKey
UUADWYZGUGMKLK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1c(N)cc(=O)[nH]c1=O
Isomeric Smiles
n1(c(=O)[nH]c(=O)cc1N)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
8.888257
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1290085
LogD (pH = 7.4)
1.115464
Log P
1.1291889
Molar Refractivity
68.3844
Polarizability
22.214283
Polar Surface Area
75.43
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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