Molecule

ID:73853

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
InChIKey
ORQQVELGTHMBNA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1Cl)cccc2
Isomeric Smiles
n1c2ccccn2c(c1C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6237346
LogD (pH = 7.4)
1.6247274
Log P
1.62474
Molar Refractivity
57.1442
Polarizability
21.539284
Polar Surface Area
43.6
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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