Molecule

ID:74571

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c1-7(13)12-8-2-4-9(5-3-8)15-6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)
InChIKey
CPABIIMOBRMZNS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)COc1ccc(cc1)NC(=O)C
Isomeric Smiles
N(c1ccc(cc1)OCC(=O)N)C(=O)C
Calculated Properties
JChem
Acid pKa
14.714758
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.27567437
LogD (pH = 7.4)
-0.2756744
Log P
-0.27567437
Molar Refractivity
55.291
Polarizability
20.813988
Polar Surface Area
81.42
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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