Molecule

ID:77661

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)3-2-7-5(6)10-3/h2H,1H3
InChIKey
KUCMDJWRQCMWPH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(o1)Cl
Isomeric Smiles
n1c(oc(c1)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.75262964
LogD (pH = 7.4)
0.75262964
Log P
0.75262964
Molar Refractivity
33.6961
Polarizability
13.018049
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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