Molecule

ID:73025

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₄
Molecular Mass
254.2375
Exact Mass
254.0579088
Charge
0
InChI
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKey
LQGUBLBATBMXHT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
Isomeric Smiles
c1cc(c2c(c1)C(=O)c1c(C2=O)c(cc(c1)C)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.01
LogD (pH = 5.5)
4.12
Log P
4.12
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.94
Polar Surface Area
74.60
Polarizability
25.51
Molar Refractivity
70.15
LOG S
-4.11
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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