Molecule

ID:38516

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₅
Molecular Mass
327.33128
Exact Mass
327.11067265
Charge
0
InChI
InChI=1S/C18H17NO5/c1-23-16(17(20)21)19-18(22)24-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9,15-16H,10H2,1H3,(H,19,22)(H,20,21)
InChIKey
AMDUDUCMSBVPRB-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
COC(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.21012
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5631582
LogD (pH = 7.4)
-0.6127068
Log P
2.8309398
Molar Refractivity
86.0328
Polarizability
34.691147
Polar Surface Area
84.86
Rotatable Bonds
6
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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