Molecule

ID:33344

General Information
Structure
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-9-5-4-6-10(2)12(9)8-7-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKey
WQTQTYMJDRTYQY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN1C(C)CCCC1C
Isomeric Smiles
N1(CCC(=O)OC)C(CCCC1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6777982
LogD (pH = 7.4)
-0.48876357
Log P
1.7345757
Molar Refractivity
56.5208
Polarizability
22.55125
Polar Surface Area
29.54
Rotatable Bonds
4
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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