Molecule

ID:54963

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3
InChIKey
ZENIBVFXWKRVMK-UHFFFAOYSA-N
Canonic Smiles
COC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9315812
LogD (pH = 7.4)
0.9315812
Log P
0.9315812
Molar Refractivity
48.4332
Polarizability
19.212313
Polar Surface Area
38.77
Rotatable Bonds
3
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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