Molecule

ID:67879

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₃
Molecular Mass
201.26276
Exact Mass
201.13649347
Charge
0
InChI
InChI=1S/C10H19NO3/c1-8-7-13-6-5-11(8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
LSDUBIYDVJGIQH-MRVPVSSYSA-N
Canonic Smiles
C[C@@H]1COCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@@H](COCC1)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2883892
LogD (pH = 7.4)
1.2883892
Log P
1.2883892
Molar Refractivity
53.1818
Polarizability
21.043314
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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