Molecule

ID:39006

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₆
Molecular Mass
373.39972
Exact Mass
373.15253746
Charge
0
InChI
InChI=1S/C20H23NO6/c1-20(2,3)27-19(25)21-17(18(23)24)12-13-4-8-15(9-5-13)26-16-10-6-14(22)7-11-16/h4-11,17,22H,12H2,1-3H3,(H,21,25)(H,23,24)
InChIKey
RUQLVQSODALTBB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccc(cc1)Oc1ccc(cc1)O)NC(=O)OC(C)(C)C
Isomeric Smiles
c1c(ccc(c1)Oc1ccc(cc1)CC(C(=O)O)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Log P
3.7664342
Molar Refractivity
98.211
Polarizability
38.437607
Polar Surface Area
105.09
Rotatable Bonds
8
Lipinski's Rule of Five
true
Acid pKa
3.50862
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.7830212
LogD (pH = 7.4)
0.39146256
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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