Molecule

ID:35944

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₃
Molecular Mass
224.64036
Exact Mass
224.02402183
Charge
0
InChI
InChI=1S/C11H9ClO3/c1-14-8-2-3-10-9(5-8)7(6-12)4-11(13)15-10/h2-5H,6H2,1H3
InChIKey
MFJWEHXWXYXYCK-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1cc(OC)cc2
Isomeric Smiles
c1(ccc2c(c1)c(cc(=O)o2)CCl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9989036
LogD (pH = 7.4)
1.9989036
Log P
1.9989036
Molar Refractivity
57.1195
Polarizability
21.914722
Polar Surface Area
35.53
Rotatable Bonds
2
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
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References
Bioactivity
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