Molecule

ID:74650

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O₄
Molecular Mass
280.27478
Exact Mass
280.07355886
Charge
0
InChI
InChI=1S/C17H12O4/c1-21-11-8-6-10(7-9-11)15(18)14-16(19)12-4-2-3-5-13(12)17(14)20/h2-9,14H,1H3
InChIKey
NJSFXAKMNPVRCR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)C1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
O=C1c2c(cccc2)C(=O)C1C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
-13.52827
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.43617272
LogD (pH = 7.4)
0.43617272
Log P
2.5353618
Molar Refractivity
77.136
Polarizability
29.236013
Polar Surface Area
60.44
Rotatable Bonds
3
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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