Molecule

ID:123060

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₂
Molecular Mass
237.64242
Exact Mass
237.03050419
Charge
0
InChI
InChI=1S/C10H8ClN3O2/c11-7-3-1-2-5-8(7)13-4-6(9(5)15)10(16)14-12/h1-4H,12H2,(H,13,15)(H,14,16)
InChIKey
FADGDABLWFHLHJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cnc2c(c1O)cccc2Cl
Isomeric Smiles
c1(c(c2c(nc1)c(Cl)ccc2)O)C(=O)NN
Calculated Properties
JChem
Acid pKa
8.772219
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.6349825
LogD (pH = 7.4)
1.6178792
Log P
1.6355444
Molar Refractivity
60.3275
Polarizability
23.716473
Polar Surface Area
88.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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