Molecule
ID:74384
General Information
Molecular Formula
C₂₁H₂₃NO₆
Molecular Mass
385.41042
Exact Mass
385.15253746
Charge
0
InChI
InChI=1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24)
InChIKey
XQPYRJIMPDBGRW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COCCOCCNC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
O(CC1c2c(cccc2)c2c1cccc2)C(=O)NCCOCCOCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8980422
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.7750194
LogD (pH = 7.4)
-0.83199984
Log P
2.3826017
Molar Refractivity
102.1702
Polarizability
40.912766
Polar Surface Area
94.09
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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