Molecule

ID:39520

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₆
Molecular Mass
351.3942
Exact Mass
351.16818753
Charge
0
InChI
InChI=1S/C18H25NO6/c1-18(2,3)25-17(23)19(4)14(16(21)22)10-11-15(20)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKey
NEJPFSNBCOTZHN-AWEZNQCLSA-N
Canonic Smiles
CN([C@H](C(=O)O)CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N(C)([C@@H](CCC(=O)OCc1ccccc1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.7873335
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.93984836
LogD (pH = 7.4)
-0.6138751
Log P
2.6542785
Molar Refractivity
90.4391
Polarizability
35.665302
Polar Surface Area
93.14
Rotatable Bonds
10
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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