Molecule
ID:77285
General Information
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey
GSVBXAZEQDJUOY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1n[nH]c(c1)c1ccco1
Isomeric Smiles
n1c(cc([nH]1)c1ccco1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.196207
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4501863
LogD (pH = 7.4)
1.3883195
Log P
1.4510382
Molar Refractivity
53.5519
Polarizability
21.24195
Polar Surface Area
68.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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