Molecule

ID:92535

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-3-15-11(14)8-7-9(13(2)12-8)10-5-4-6-16-10/h4-7H,3H2,1-2H3
InChIKey
QEOVLTVAGMDVLQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c(c1)c1ccco1)C
Isomeric Smiles
o1cccc1c1cc(nn1C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5747142
LogD (pH = 7.4)
1.5747143
Log P
1.5747143
Molar Refractivity
68.7679
Polarizability
22.999899
Polar Surface Area
57.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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