Molecule

ID:84255

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-3-15-10(14)7-4-6(2)13-9(11)8(7)5-12/h4H,3H2,1-2H3
InChIKey
XUXBHWPRQGVLRY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C)nc(c1C#N)Cl
Isomeric Smiles
n1c(c(c(cc1C)C(=O)OCC)C#N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9275465
LogD (pH = 7.4)
1.9275465
Log P
1.9275465
Molar Refractivity
56.8542
Polarizability
21.317501
Polar Surface Area
62.98
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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