Molecule

ID:11645

General Information
Structure
Molecular Formula
C₁₄H₂₃NO₄
Molecular Mass
269.33672
Exact Mass
269.16270822
Charge
0
InChI
InChI=1S/C14H23NO4/c1-13(2)10(4-5-14(13,3)12(17)18)11(16)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,17,18)
InChIKey
JFHHEQAIXQSHBU-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC(C1(C)C)(C)C(=O)O)N1CCOCC1
Isomeric Smiles
C1(C(C(=O)O)(CCC1C(=O)N1CCOCC1)C)(C)C
Calculated Properties
JChem
Acid pKa
4.4708047
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1666229
LogD (pH = 7.4)
-1.5991606
Log P
1.2333219
Molar Refractivity
69.6996
Polarizability
27.52776
Polar Surface Area
66.84
Rotatable Bonds
2
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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