Molecule

ID:38806

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₆
Molecular Mass
352.38226
Exact Mass
352.1634365
Charge
0
InChI
InChI=1S/C17H24N2O6/c1-16(2,3)24-14(22)18-11-7-10(13(20)21)8-12(9-11)19-15(23)25-17(4,5)6/h7-9H,1-6H3,(H,18,22)(H,19,23)(H,20,21)
InChIKey
SSZRVVHPLPWQCW-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1cc(NC(=O)OC(C)(C)C)cc(c1)C(=O)O
Isomeric Smiles
c1c(cc(cc1NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7494366
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
1.7017084
LogD (pH = 7.4)
0.16787286
Log P
3.452751
Molar Refractivity
93.8986
Polarizability
34.941456
Polar Surface Area
113.96
Rotatable Bonds
7
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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