Molecule

ID:11266

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c1-2-13-7(11)5-6-8(12)10-4-3-9-6/h6,9H,2-5H2,1H3,(H,10,12)
InChIKey
HNYRNJAZRKCHSC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1NCCNC1=O
Isomeric Smiles
C1(=O)C(CC(=O)OCC)NCCN1
Calculated Properties
JChem
Acid pKa
14.069325
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7400013
LogD (pH = 7.4)
-1.0614829
Log P
-1.0400323
Molar Refractivity
45.5749
Polarizability
18.306417
Polar Surface Area
67.43
Rotatable Bonds
4
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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