Molecule

ID:90975

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₃
Molecular Mass
222.62448
Exact Mass
222.00837176
Charge
0
InChI
InChI=1S/C11H7ClO3/c12-11(13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h1-7H
InChIKey
CQXHLNAGAUDPCF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1occ(c1)Oc1ccccc1
Isomeric Smiles
o1cc(Oc2ccccc2)cc1C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.724692
LogD (pH = 7.4)
2.724692
Log P
2.724692
Molar Refractivity
55.8044
Polarizability
21.326267
Polar Surface Area
39.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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