Molecule

ID:73352

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
InChIKey
HQYMUNCIMNFLDT-UHFFFAOYSA-N
Canonic Smiles
O=C(NCC(=O)N)OCc1ccccc1
Isomeric Smiles
O(Cc1ccccc1)C(=O)NCC(=O)N
Calculated Properties
JChem
Acid pKa
13.5234585
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.20819268
LogD (pH = 7.4)
0.2081924
Log P
0.20819269
Molar Refractivity
53.5056
Polarizability
20.837833
Polar Surface Area
81.42
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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