Molecule

ID:62523

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-6(2)7-4-8(12-11-7)9(13)5-10(14)15-3/h4,6H,5H2,1-3H3,(H,11,12)
InChIKey
OULXTSFDCAUNRR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)c1[nH]nc(c1)C(C)C
Isomeric Smiles
c1(cc(n[nH]1)C(C)C)C(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
9.852389
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1679906
LogD (pH = 7.4)
1.1665924
Log P
1.1680932
Molar Refractivity
54.9318
Polarizability
20.830074
Polar Surface Area
72.05
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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