Molecule

ID:41261

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₅
Molecular Mass
266.24996
Exact Mass
266.09027156
Charge
0
InChI
InChI=1S/C12H14N2O5/c1-13-12(17)14(10(19-13)7-11(15)16)8-3-5-9(18-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey
GWXZWHFAJLUZQG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1C(ON(C1=O)C)CC(=O)O
Isomeric Smiles
N1(C(=O)N(OC1CC(=O)O)C)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.6320686
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.81280255
LogD (pH = 7.4)
-2.2799685
Log P
1.0516096
Molar Refractivity
63.873
Polarizability
24.997152
Polar Surface Area
79.31
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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