Molecule

ID:61716

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-5-4-11(6-12)7-14-8-11/h4-8H2,1-3H3
InChIKey
ACMASIMZBDTNIZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(C1)COC2)OC(C)(C)C
Isomeric Smiles
C1OCC21CN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.839247
LogD (pH = 7.4)
0.839247
Log P
0.839247
Molar Refractivity
56.1385
Polarizability
22.159397
Polar Surface Area
38.77
Rotatable Bonds
2
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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