Molecule

ID:17398

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₄
Molecular Mass
230.2161
Exact Mass
230.0579088
Charge
0
InChI
InChI=1S/C13H10O4/c1-16-13(15)10-4-2-9(3-5-10)12-7-6-11(8-14)17-12/h2-8H,1H3
InChIKey
JHCPIIVQUDGETN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc(o1)C=O
Isomeric Smiles
c1(c2ccc(cc2)C(=O)OC)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3166983
LogD (pH = 7.4)
2.3166983
Log P
2.3166983
Molar Refractivity
62.0719
Polarizability
24.465647
Polar Surface Area
56.51
Rotatable Bonds
4
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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