Molecule

ID:136389

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₄
Molecular Mass
244.2875
Exact Mass
244.14230713
Charge
0
InChI
InChI=1S/C11H20N2O4/c1-3-17-10(15)6-11(7-16-8-11)13-5-4-12-9(2)14/h13H,3-8H2,1-2H3,(H,12,14)
InChIKey
JWJPILYOMUACBJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)NCCNC(=O)C
Isomeric Smiles
CCOC(=O)CC1(COC1)NCCNC(=O)C
Calculated Properties
JChem
Acid pKa
15.713859
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.8041456
LogD (pH = 7.4)
-1.3698624
Log P
-1.1882823
Molar Refractivity
61.023
Polarizability
24.525623
Polar Surface Area
76.66
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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