Molecule

ID:57570

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-4-14-11(13)10-6-5-7-12(8-10)9(2)3/h9-10H,4-8H2,1-3H3
InChIKey
ILEWGMFFMZYVCG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C(C)C
Isomeric Smiles
C1CN(CC(C1)C(=O)OCC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.5981641
LogD (pH = 7.4)
-0.11541562
Log P
1.6952726
Molar Refractivity
56.9011
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
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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