Molecule

ID:115265

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄
Molecular Mass
259.25732
Exact Mass
259.0844579
Charge
0
InChI
InChI=1S/C14H13NO4/c1-8-5-10-6-9(3-4-12(10)18-8)13-7-11(15-19-13)14(16)17-2/h3-4,6-8H,5H2,1-2H3
InChIKey
XIQPZYSQWFSWFN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1ccc2c(c1)CC(O2)C
Isomeric Smiles
c1(noc(c1)c1cc2c(OC(C2)C)cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3931372
LogD (pH = 7.4)
2.3931372
Log P
2.3931372
Molar Refractivity
68.3586
Polarizability
27.098145
Polar Surface Area
61.56
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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