Molecule

ID:40971

General Information
Structure
Molecular Formula
C₁₅H₁₃NO₅
Molecular Mass
287.26742
Exact Mass
287.07937252
Charge
0
InChI
InChI=1S/C15H13NO5/c1-9-11(14(18)20-2)8-12(15(19)21-9)16-13(17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)
InChIKey
LAQUSGABDKJNSQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C
Isomeric Smiles
c1(cc(c(=O)oc1C)NC(=O)c1ccccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
13.131473
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5513922
LogD (pH = 7.4)
1.5513916
Log P
1.5513923
Molar Refractivity
76.4221
Polarizability
28.27134
Polar Surface Area
81.7
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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