Molecule

ID:14229

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₄
Molecular Mass
227.25698
Exact Mass
227.11575803
Charge
0
InChI
InChI=1S/C11H17NO4/c13-9-5-4-6-10(14)12(9)8-3-1-2-7-11(15)16/h1-8H2,(H,15,16)
InChIKey
NNQVXEGUXLFWMN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCN1C(=O)CCCC1=O
Isomeric Smiles
N1(C(=O)CCCC1=O)CCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.256577
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.69772637
LogD (pH = 7.4)
-2.4266074
Log P
0.56756777
Molar Refractivity
56.5201
Polarizability
22.150297
Polar Surface Area
74.68
Rotatable Bonds
6
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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