Molecule

ID:51483

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₄
Molecular Mass
307.3847
Exact Mass
307.17835829
Charge
0
InChI
InChI=1S/C17H25NO4/c1-12-5-7-13(8-6-12)11-14(15(19)20)9-10-18-16(21)22-17(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKey
MIESPZMBLDUNIP-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCC(C(=O)O)Cc1ccc(cc1)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCC(C(=O)O)Cc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
4.6536746
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.601812
LogD (pH = 7.4)
0.8242099
Log P
3.5050762
Molar Refractivity
84.6425
Polarizability
32.930637
Polar Surface Area
75.63
Rotatable Bonds
8
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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