Molecule

ID:70784

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClO₃
Molecular Mass
148.5444
Exact Mass
147.9927217
Charge
0
InChI
InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
InChIKey
QCLFSYYUWPUWQR-UHFFFAOYSA-N
Canonic Smiles
ClCc1oc(=O)oc1C
Isomeric Smiles
o1c(=O)oc(c1C)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4404067
LogD (pH = 7.4)
1.4404067
Log P
1.4404067
Molar Refractivity
32.6779
Polarizability
12.433123
Polar Surface Area
35.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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