Molecule

ID:64919

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClN₃O₂
Molecular Mass
225.63172
Exact Mass
225.03050419
Charge
0
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-4-13-5-11-7(10)3-8(13)12-6/h3-5H,2H2,1H3
InChIKey
WMQUXPLJSXZVPY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)cc(nc2)Cl
Isomeric Smiles
n1c(cc2n(c1)cc(n2)C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.92874146
LogD (pH = 7.4)
0.9315169
Log P
0.9315524
Molar Refractivity
56.4004
Polarizability
20.727352
Polar Surface Area
56.49
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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