Molecule

ID:128288

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄
Molecular Mass
279.33154
Exact Mass
279.14705816
Charge
0
InChI
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
InChIKey
ZQEIXNIJLIKNTD-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
Isomeric Smiles
Cc1c(c(ccc1)C)N(C(C)C(=O)OC)C(=O)COC
Calculated Properties
JChem
LogD (pH = 7.4)
2.12
LogD (pH = 5.5)
2.12
Log P
2.12
Rotatable Bonds
6
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
15.80
Polar Surface Area
55.84
Polarizability
29.63
Molar Refractivity
75.92
LOG S
-2.83
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
References
Bioactivity
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