Molecule

ID:75941

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c14-8-13-9-1-2-11(12-7-9)16-10-3-5-15-6-4-10/h1-2,7,10H,3-6H2
InChIKey
CURMCGRWRMOXFY-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(nc1)OC1CCOCC1
Isomeric Smiles
n1cc(ccc1OC1CCOCC1)N=C=O
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.0630873
LogD (pH = 7.4)
1.0631012
Log P
1.0631014
Molar Refractivity
58.2253
Polarizability
21.646503
Polar Surface Area
60.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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