Molecule

ID:10829

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-8-4-3-5-9(2)12(8)10(13)6-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKey
ZTFWHVOFAVHCDK-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(N1C(=O)CCC(=O)O)C
Isomeric Smiles
N1(C(=O)CCC(=O)O)C(CCCC1C)C
Calculated Properties
JChem
Acid pKa
4.695882
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.058805887
LogD (pH = 7.4)
-1.7190264
Log P
0.92544276
Molar Refractivity
56.1322
Polarizability
22.019754
Polar Surface Area
57.61
Rotatable Bonds
3
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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