Molecule

ID:21384

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₄
Molecular Mass
271.3526
Exact Mass
271.17835829
Charge
0
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)15-11-7-5-10(6-8-11)9-12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKey
KNFRNBCZWTZJHN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCC(CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1C(CCC(C1)CC(=O)OC)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.127244
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.223149
LogD (pH = 7.4)
2.223149
Log P
2.223149
Molar Refractivity
71.3901
Polarizability
28.487598
Polar Surface Area
64.63
Rotatable Bonds
6
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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