Molecule

ID:109089

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇ClO₄
Molecular Mass
286.66668
Exact Mass
286.00328638
Charge
0
InChI
InChI=1S/C15H7ClO4/c16-12-6-10-9(5-11(12)15(19)20)13(17)7-3-1-2-4-8(7)14(10)18/h1-6H,(H,19,20)
InChIKey
DHDYWKZMHZPMFZ-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(Cl)c(cc2C(=O)c2c1cccc2)C(=O)O
Isomeric Smiles
OC(=O)c1c(Cl)cc2C(=O)c3c(cccc3)C(=O)c2c1
Calculated Properties
JChem
Acid pKa
2.604933
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3753457
LogD (pH = 7.4)
-0.32619727
Log P
3.1803336
Molar Refractivity
73.212
Polarizability
27.572609
Polar Surface Area
71.44
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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