Molecule

ID:11441

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₅
Molecular Mass
277.2726
Exact Mass
277.09502259
Charge
0
InChI
InChI=1S/C14H15NO5/c1-7-4-11(9(3)19-7)13(16)15-6-10-5-12(14(17)18)20-8(10)2/h4-5H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKey
BKWOSDQVFGPKFT-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(c(c1)C(=O)NCc1cc(oc1C)C(=O)O)C
Isomeric Smiles
c1(cc(oc1C)C(=O)O)CNC(=O)c1c(oc(c1)C)C
Calculated Properties
JChem
Acid pKa
3.1560688
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0896698
LogD (pH = 7.4)
-2.2240636
Log P
1.2287943
Molar Refractivity
72.2553
Polarizability
26.099476
Polar Surface Area
92.68
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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