Molecule

ID:133916

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃O₇
Molecular Mass
377.34866
Exact Mass
377.12229996
Charge
0
InChI
InChI=1S/C17H19N3O7/c1-26-10-4-2-9(3-5-10)15(24)18-12-6-7-20(17(25)19-12)16-14(23)13(22)11(8-21)27-16/h2-7,11,13-14,16,21-23H,8H2,1H3,(H,18,19,24,25)
InChIKey
UAHIASPEJUIQKN-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1O)O)n1ccc(nc1=O)NC(=O)c1ccc(cc1)OC
Isomeric Smiles
COc1ccc(cc1)C(=O)Nc1ccn(c(=O)n1)C1C(C(C(O1)CO)O)O
Calculated Properties
JChem
Acid pKa
12.423839
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-1.1695725
LogD (pH = 7.4)
-1.1695764
Log P
-1.1695725
Molar Refractivity
91.1223
Polarizability
35.24853
Polar Surface Area
140.92
Rotatable Bonds
5
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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