Molecule

ID:84257

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₂
Molecular Mass
237.64242
Exact Mass
237.03050419
Charge
0
InChI
InChI=1S/C10H8ClN3O2/c11-6-8(15)12-10-9(13-16-14-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14,15)
InChIKey
ROZUWQWIEGEMDZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1nonc1c1ccccc1
Isomeric Smiles
n1c(c(no1)c1ccccc1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.418
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9646735
LogD (pH = 7.4)
1.9642828
Log P
1.9646785
Molar Refractivity
61.1225
Polarizability
23.141998
Polar Surface Area
68.02
Rotatable Bonds
3
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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