Molecule

ID:90951

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c13-9-5-7(10(14)15)6-12(9)8-1-3-11-4-2-8/h1-4,7H,5-6H2,(H,14,15)
InChIKey
JQFILTATFNBDBG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C(=O)C1)c1ccncc1
Isomeric Smiles
N1(c2ccncc2)C(=O)CC(C1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5656188
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2540503
LogD (pH = 7.4)
-3.7823923
Log P
-1.4867872
Molar Refractivity
50.8612
Polarizability
19.69371
Polar Surface Area
70.5
Rotatable Bonds
2
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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