Molecule

ID:62928

General Information
Structure
Molecular Formula
C₁₁H₂₁N₃O₃
Molecular Mass
243.30274
Exact Mass
243.15829155
Charge
0
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-5-13-7-8(14)9(15)12-4/h8,13H,5-7H2,1-4H3,(H,12,15)
InChIKey
PRNNQLMMKGNVKQ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1CNCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C(C(=O)NC)CNCC1
Calculated Properties
JChem
Acid pKa
15.62409
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9047912
LogD (pH = 7.4)
-0.5032988
Log P
-0.3389407
Molar Refractivity
62.9927
Polarizability
24.94813
Polar Surface Area
70.67
Rotatable Bonds
3
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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