Molecule

ID:89937

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4-5H2,(H,12,14)
InChIKey
WXJWBEAGVWVEDM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc2c(c1)CC(=O)N2
Isomeric Smiles
N1c2c(cc(cc2)C(=O)CCl)CC1=O
Calculated Properties
JChem
Acid pKa
11.52374
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1670411
LogD (pH = 7.4)
1.1670089
Log P
1.1670415
Molar Refractivity
54.7409
Polarizability
20.081884
Polar Surface Area
46.17
Rotatable Bonds
2
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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