Molecule

ID:11705

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₄
Molecular Mass
285.2946
Exact Mass
285.10010797
Charge
0
InChI
InChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21)
InChIKey
GLELQLHCSRTFFD-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(ccc1C(=O)c1ccccc1C(=O)O)N(C)C
Isomeric Smiles
C(=O)(c1c(cc(N(C)C)cc1)O)c1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.4845126
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4896914
LogD (pH = 7.4)
0.102568656
Log P
3.2857814
Molar Refractivity
80.2992
Polarizability
29.739511
Polar Surface Area
77.84
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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