Molecule

ID:62039

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₄
Molecular Mass
267.32084
Exact Mass
267.14705816
Charge
0
InChI
InChI=1S/C14H21NO4/c1-19-14(18)8-12(16)10-7-13(17)15(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKey
RYLLRMCRYCDGEZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CC(=O)N(C1)C1CCCCC1
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)CC(=O)OC)C1CCCCC1
Calculated Properties
JChem
Acid pKa
11.334972
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4230692
LogD (pH = 7.4)
1.4230202
Log P
1.1897373
Molar Refractivity
68.919
Polarizability
27.161469
Polar Surface Area
63.68
Rotatable Bonds
5
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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