Molecule
ID:57180
General Information
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-3-14-11(13)10(2)12-8-6-4-5-7-9-12/h10H,3-9H2,1-2H3
InChIKey
ITTOPIJVHLMAJK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(N1CCCCCC1)C
Isomeric Smiles
C1CN(CCCC1)C(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.27121717
LogD (pH = 7.4)
1.4660981
Log P
2.0345538
Molar Refractivity
56.8273
Polarizability
22.55125
Polar Surface Area
29.54
Rotatable Bonds
4
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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