Molecule

ID:79825

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₄
Molecular Mass
271.3526
Exact Mass
271.17835829
Charge
0
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(11(16)17)9-7-5-4-6-8-10-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
ZQWWOQXTYXFBKX-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCCCCCC1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N(C1(CCCCCCC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.1689615
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9130733
LogD (pH = 7.4)
0.20684311
Log P
3.2611768
Molar Refractivity
71.1324
Polarizability
28.24244
Polar Surface Area
75.63
Rotatable Bonds
4
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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