Molecule

ID:83193

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-6-12-8-3-2-7(4-9(8)15-6)13-10(14)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKey
XZZHNQRIPFMUHT-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc2c(c1)oc(n2)C
Isomeric Smiles
n1c(oc2c1ccc(c2)NC(=O)CCl)C
Calculated Properties
JChem
Acid pKa
12.926206
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2179706
LogD (pH = 7.4)
1.2179829
Log P
1.2179843
Molar Refractivity
56.78
Polarizability
22.310686
Polar Surface Area
55.13
Rotatable Bonds
2
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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