Molecule

ID:125126

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₄
Molecular Mass
240.21092
Exact Mass
240.04225874
Charge
0
InChI
InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
InChIKey
WPWWKBNOXTZDQJ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1
Isomeric Smiles
O=C1c2ccccc2C(=O)c2c1cc(O)cc2O
Calculated Properties
JChem
LogD (pH = 7.4)
2.64
LogD (pH = 5.5)
2.96
Log P
2.96
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.37
Polar Surface Area
74.60
Polarizability
23.38
Molar Refractivity
65.11
LOG S
-3.60
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
References
Bioactivity
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