Molecule

ID:84706

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₃
Molecular Mass
250.2488
Exact Mass
250.06299418
Charge
0
InChI
InChI=1S/C16H10O3/c17-10-11-6-7-14-13(8-11)9-15(19-14)16(18)12-4-2-1-3-5-12/h1-10H
InChIKey
CLAPHTYIBWGUCN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)cc(o2)C(=O)c1ccccc1
Isomeric Smiles
o1c(cc2c1ccc(c2)C=O)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2242258
LogD (pH = 7.4)
3.2242258
Log P
3.2242258
Molar Refractivity
71.9361
Polarizability
28.271845
Polar Surface Area
47.28
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
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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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