Molecule

ID:73850

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)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
InChIKey
UDQYTPCGXBXZCE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)cccc2Cl
Isomeric Smiles
n12c(nc(c1)C(=O)OCC)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6158593
LogD (pH = 7.4)
1.624627
Log P
1.62474
Molar Refractivity
57.1442
Polarizability
21.518234
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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