Molecule

ID:45910

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₃
Molecular Mass
194.1873
Exact Mass
194.06914219
Charge
0
InChI
InChI=1S/C9H10N2O3/c1-11(6-8(12)13)9(14)7-3-2-4-10-5-7/h2-5H,6H2,1H3,(H,12,13)
InChIKey
BBUQZKNNYGFMHF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(C(=O)c1cccnc1)C
Isomeric Smiles
C(=O)(N(CC(=O)O)C)c1cnccc1
Calculated Properties
JChem
Acid pKa
3.0489476
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.693991
LogD (pH = 7.4)
-3.9027953
Log P
-1.187889
Molar Refractivity
48.8575
Polarizability
18.387209
Polar Surface Area
70.5
Rotatable Bonds
3
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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