Molecule

ID:62161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-7(2)12-6-8(5-11-12)9(13)4-10(14)15-3/h5-7H,4H2,1-3H3
InChIKey
UXGOBLVKVMSBFR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)c1cnn(c1)C(C)C
Isomeric Smiles
c1(cn(nc1)C(C)C)C(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.3001175
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.77023494
LogD (pH = 7.4)
0.76971275
Log P
0.77025884
Molar Refractivity
65.6448
Polarizability
20.828339
Polar Surface Area
61.19
Rotatable Bonds
5
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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