Molecule

ID:112960

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₄
Molecular Mass
255.31014
Exact Mass
255.14705816
Charge
0
InChI
InChI=1S/C13H21NO4/c1-5-13(2,3)10(15)11(16)14-8-6-7-9(14)12(17)18-4/h9H,5-8H2,1-4H3
InChIKey
VLNHKSCDLQIJMI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCCN1C(=O)C(=O)C(CC)(C)C
Isomeric Smiles
N1(C(=O)C(=O)C(CC)(C)C)C(C(=O)OC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1920197
LogD (pH = 7.4)
2.1920197
Log P
2.1920197
Molar Refractivity
66.0487
Polarizability
26.045235
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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