Molecule

ID:17500

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₄
Molecular Mass
226.22916
Exact Mass
226.09535694
Charge
0
InChI
InChI=1S/C10H14N2O4/c13-7(14)6-12-8(15)10(11-9(12)16)4-2-1-3-5-10/h1-6H2,(H,11,16)(H,13,14)
InChIKey
CGXTWPOZGXKGOX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)NC2(C1=O)CCCCC2
Isomeric Smiles
C12(C(=O)N(C(=O)N1)CC(=O)O)CCCCC2
Calculated Properties
JChem
Acid pKa
3.7583015
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4636214
LogD (pH = 7.4)
-3.002221
Log P
0.27885658
Molar Refractivity
53.0814
Polarizability
20.793352
Polar Surface Area
86.71
Rotatable Bonds
2
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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