Molecule

ID:65573

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-11(2,3)10-13-7-5-12-4-6(9(14)15)8(7)16-10/h4-5H,1-3H3,(H,14,15)
InChIKey
JMBRSGBJKORISN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cncc2c1oc(n2)C(C)(C)C
Isomeric Smiles
c1(cncc2c1oc(n2)C(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.3428273
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.49773633
LogD (pH = 7.4)
-1.2490795
Log P
1.6823771
Molar Refractivity
55.9655
Polarizability
22.576834
Polar Surface Area
76.22
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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