Molecule

ID:42796

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₂
Molecular Mass
237.64242
Exact Mass
237.03050419
Charge
0
InChI
InChI=1S/C10H8ClN3O2/c1-16-10(15)8-3-2-7(4-9(8)11)14-6-12-5-13-14/h2-6H,1H3
InChIKey
LWJWMJWSQGGXPO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1Cl)n1ncnc1
Isomeric Smiles
c1(c(cc(n2ncnc2)cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9799685
LogD (pH = 7.4)
1.9800651
Log P
1.9800663
Molar Refractivity
60.4239
Polarizability
22.883558
Polar Surface Area
57.01
Rotatable Bonds
3
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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