Molecule

ID:64272

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO₃
Molecular Mass
161.54316
Exact Mass
160.98797067
Charge
0
InChI
InChI=1S/C5H4ClNO3/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
InChIKey
GMAOHBOUJBPEKY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1coc(n1)Cl
Isomeric Smiles
c1(nc(oc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0184789
LogD (pH = 7.4)
1.0184789
Log P
1.0184789
Molar Refractivity
33.4466
Polarizability
13.01493
Polar Surface Area
52.33
Rotatable Bonds
2
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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