Molecule

ID:69836

General Information
Structure
Molecular Formula
C₈H₃ClO₃
Molecular Mass
182.56062
Exact Mass
181.97707164
Charge
0
InChI
InChI=1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChIKey
UERPUZBSSSAZJE-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1c(Cl)ccc2
Isomeric Smiles
C1(=O)OC(=O)c2c(cccc12)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0266283
LogD (pH = 7.4)
2.0266283
Log P
2.0266283
Molar Refractivity
42.1698
Polarizability
16.070213
Polar Surface Area
43.37
Rotatable Bonds
0
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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