Molecule

ID:61725

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-5-4-10(11)6-13-7-10/h4-7H2,1-3H3
InChIKey
FIFKIIBTYOOVJD-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC21COC2)OC(C)(C)C
Isomeric Smiles
N1(CCC21COC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7437847
LogD (pH = 7.4)
0.7437847
Log P
0.7437847
Molar Refractivity
51.2192
Polarizability
20.328562
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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