Molecule

ID:38770

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₇
Molecular Mass
327.32974
Exact Mass
327.13180202
Charge
0
InChI
InChI=1S/C15H21NO7/c1-15(2,3)23-14(19)16-10-8(13(17)18)7-9(20-4)11(21-5)12(10)22-6/h7H,1-6H3,(H,16,19)(H,17,18)
InChIKey
FQBFMANNSTYZMD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C(=O)O)c(c(c1OC)OC)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(cc(c(c(c1NC(=O)OC(C)(C)C)OC)OC)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.064257
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-0.33489597
LogD (pH = 7.4)
-1.3976784
Log P
2.0687761
Molar Refractivity
82.996
Polarizability
31.453949
Polar Surface Area
103.32
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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