Molecule
ID:59110
General Information
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-2-15-11(14)10(13)12-8-6-4-3-5-7-9-12/h2-9H2,1H3
InChIKey
YDOFWJGTLKLXJB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N1CCCCCCC1
Isomeric Smiles
C(=O)(N1CCCCCCC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8521968
LogD (pH = 7.4)
1.8521968
Log P
1.8521968
Molar Refractivity
56.9159
Polarizability
22.264418
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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