Molecule

ID:14080

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₇
Molecular Mass
377.38842
Exact Mass
377.14745208
Charge
0
InChI
InChI=1S/C17H21NO3.C2H2O4/c1-19-15-6-4-13(5-7-15)11-18-12-14-8-16(20-2)10-17(9-14)21-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
LUDJOXIHCZTBDM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.COc1ccc(cc1)CNCc1cc(OC)cc(c1)OC
Isomeric Smiles
c1(CNCc2ccc(cc2)OC)cc(cc(c1)OC)OC.O=C(O)C(=O)O
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.14743485
LogD (pH = 7.4)
1.447205
Log P
2.7830539
Molar Refractivity
83.3082
Polarizability
32.68173
Polar Surface Area
39.72
Rotatable Bonds
8
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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