Molecule

ID:57342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKey
DUWRESTURQQSES-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C1(C(CCCC1)C(=O)NCCC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.6433635
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.49667722
LogD (pH = 7.4)
-1.2807268
Log P
1.4089649
Molar Refractivity
56.0773
Polarizability
22.019754
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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