Molecule

ID:42286

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₄
Molecular Mass
242.2268
Exact Mass
242.0579088
Charge
0
InChI
InChI=1S/C14H10O4/c15-14(16)10-3-1-9(2-4-10)11-5-6-12-13(7-11)18-8-17-12/h1-7H,8H2,(H,15,16)
InChIKey
QZKDXSOKZHLFHE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1ccc2c(c1)OCO2
Isomeric Smiles
C(=O)(c1ccc(c2cc3c(OCO3)cc2)cc1)O
Calculated Properties
JChem
Acid pKa
4.0702624
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4591358
LogD (pH = 7.4)
-0.21610616
Log P
2.9012876
Molar Refractivity
64.2173
Polarizability
26.054316
Polar Surface Area
55.76
Rotatable Bonds
2
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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