Molecule

ID:59094

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₄
Molecular Mass
202.20776
Exact Mass
202.09535694
Charge
0
InChI
InChI=1S/C8H14N2O4/c1-3-6(11)9-10-7(12)4-5-8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
IEUZFBBWYZDDRJ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)NNC(=O)CCC(=O)OC
Isomeric Smiles
C(=O)(NNC(=O)CC)CCC(=O)OC
Calculated Properties
JChem
Acid pKa
10.310708
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.948451
LogD (pH = 7.4)
-0.9489173
Log P
-0.948445
Molar Refractivity
47.6211
Polarizability
18.796696
Polar Surface Area
84.5
Rotatable Bonds
6
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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