Molecule

ID:62024

General Information
Structure
Molecular Formula
C₁₁H₁₇NO₅
Molecular Mass
243.25638
Exact Mass
243.11067265
Charge
0
InChI
InChI=1S/C11H17NO5/c1-16-4-3-12-7-8(5-10(12)14)9(13)6-11(15)17-2/h8H,3-7H2,1-2H3
InChIKey
MCWYWPLWQMOXGG-UHFFFAOYSA-N
Canonic Smiles
COCCN1CC(CC1=O)C(=O)CC(=O)OC
Isomeric Smiles
N1(C(=O)CC(C(=O)CC(=O)OC)C1)CCOC
Calculated Properties
JChem
Acid pKa
11.3349905
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.42317617
LogD (pH = 7.4)
-0.42322582
Log P
-0.65650874
Molar Refractivity
58.9483
Polarizability
23.137419
Polar Surface Area
72.91
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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