Molecule

ID:62822

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-3-4-12-7-8(6-11-12)9(13)5-10(14)15-2/h6-7H,3-5H2,1-2H3
InChIKey
GHBCJQJUHPJYEG-UHFFFAOYSA-N
Canonic Smiles
CCCn1ncc(c1)C(=O)CC(=O)OC
Isomeric Smiles
c1(cn(nc1)CCC)C(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.304235
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8761813
LogD (pH = 7.4)
0.87566525
Log P
0.8762062
Molar Refractivity
65.75
Polarizability
20.828482
Polar Surface Area
61.19
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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