Molecule

ID:129901

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₄
Molecular Mass
273.2839
Exact Mass
273.10010797
Charge
0
InChI
InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)/t14-/m0/s1
InChIKey
KKCIOUWDFWQUBT-AWEZNQCLSA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccc(cc1)Oc1ccc(cc1)O)N
Isomeric Smiles
O=C(O)[C@@H](N)Cc1ccc(Oc2ccc(O)cc2)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.01
LogD (pH = 5.5)
0.01
Log P
0.01
Rotatable Bonds
5
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.61
Polar Surface Area
92.78
Polarizability
27.68
Molar Refractivity
73.34
LOG S
-2.98
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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