Molecule

ID:39164

General Information
Structure
Molecular Formula
C₁₁H₂₁NO₅
Molecular Mass
247.28814
Exact Mass
247.14197278
Charge
0
InChI
InChI=1S/C11H21NO5/c1-6-16-7(2)8(9(13)14)12-10(15)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKey
IWSAURYTXKUSGI-YUMQZZPRSA-N
Canonic Smiles
CCO[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
[C@H]([C@@H](OCC)C)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.001423
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.22513027
LogD (pH = 7.4)
-1.8752679
Log P
1.2829856
Molar Refractivity
60.8326
Polarizability
24.20885
Polar Surface Area
84.86
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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