Molecule

ID:118653

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₄
Molecular Mass
238.62388
Exact Mass
238.00328638
Charge
0
InChI
InChI=1S/C11H7ClO4/c12-4-6-1-11(13)16-8-3-10-9(2-7(6)8)14-5-15-10/h1-3H,4-5H2
InChIKey
FJKWIQFDJAQEBK-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1cc1OCOc1c2
Isomeric Smiles
c12c(c(cc(=O)o1)CCl)cc1c(c2)OCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7798084
LogD (pH = 7.4)
1.7798084
Log P
1.7798084
Molar Refractivity
56.4232
Polarizability
21.928768
Polar Surface Area
44.76
Rotatable Bonds
1
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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