Molecule

ID:90939

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇NO₆
Molecular Mass
317.37798
Exact Mass
317.18383759
Charge
0
InChI
InChI=1S/C15H27NO6/c1-6-20-15(21-7-2)8-9-16(11(10-15)12(17)18)13(19)22-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18)/t11-/m0/s1
InChIKey
XXSYJWAGVUPLGD-NSHDSACASA-N
Canonic Smiles
CCOC1(OCC)CCN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C
Isomeric Smiles
O(C1(OCC)CCN(C(=O)OC(C)(C)C)[C@@H](C1)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
4.0050855
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.82458544
LogD (pH = 7.4)
-0.82696044
Log P
2.3291855
Molar Refractivity
78.8824
Polarizability
31.541897
Polar Surface Area
85.3
Rotatable Bonds
7
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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