Molecule

ID:63683

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉NO₄
Molecular Mass
299.40576
Exact Mass
299.20965841
Charge
0
InChI
InChI=1S/C16H29NO4/c1-15(2,3)20-13(18)10-12-8-7-9-17(11-12)14(19)21-16(4,5)6/h12H,7-11H2,1-6H3
InChIKey
ZFBQQZRVIMAETR-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)CC1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(CC1CCCN(C(=O)OC(C)(C)C)C1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6298342
LogD (pH = 7.4)
2.6298342
Log P
2.6298342
Molar Refractivity
81.1432
Polarizability
32.15649
Polar Surface Area
55.84
Rotatable Bonds
6
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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