Molecule

ID:58585

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉NO₄
Molecular Mass
299.40576
Exact Mass
299.20965841
Charge
0
InChI
InChI=1S/C16H29NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h6-12H2,1-5H3
InChIKey
GRGKMLUUYYXLRB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCC)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CCC1(CCC)C(=O)OCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1112788
LogD (pH = 7.4)
3.1112788
Log P
3.1112788
Molar Refractivity
81.2911
Polarizability
32.15649
Polar Surface Area
55.84
Rotatable Bonds
7
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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