Molecule

ID:121343

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c14-10(15)8-3-1-2-4-9(8)13-11(16)12-7-5-6-7/h1-4,7H,5-6H2,(H,14,15)(H2,12,13,16)
InChIKey
QYKRKNFHJXAWHI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1C(=O)O)NC1CC1
Isomeric Smiles
c1(c(NC(=O)NC2CC2)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5310931
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.08752874
LogD (pH = 7.4)
-1.4916307
Log P
1.8742342
Molar Refractivity
58.9618
Polarizability
21.677027
Polar Surface Area
78.43
Rotatable Bonds
3
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
References
Bioactivity
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