Molecule

ID:40208

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₄
Molecular Mass
198.176
Exact Mass
198.06405681
Charge
0
InChI
InChI=1S/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3
InChIKey
CBBKKVPJPRZOCM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC(=O)N(CC1=O)C(=O)C
Isomeric Smiles
N1(C(=O)CN(C(=O)C1)C(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.301927
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.2333498
LogD (pH = 7.4)
-2.23335
Log P
-2.2333498
Molar Refractivity
44.7388
Polarizability
17.502085
Polar Surface Area
74.76
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation