Molecule

ID:121262

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₄
Molecular Mass
247.24662
Exact Mass
247.0844579
Charge
0
InChI
InChI=1S/C13H13NO4/c1-17-10-4-3-9(7-11(10)18-2)8-14-12(15)5-6-13(14)16/h3-7H,8H2,1-2H3
InChIKey
GDFMFLIYTSNOLD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CN1C(=O)C=CC1=O
Isomeric Smiles
N1(C(=O)C=CC1=O)Cc1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9969037
LogD (pH = 7.4)
0.9969037
Log P
0.9969037
Molar Refractivity
65.7871
Polarizability
24.914423
Polar Surface Area
55.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
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References
Bioactivity
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