Molecule

ID:33484

General Information
Structure
Molecular Formula
C₁₆H₁₁FN₂O₃
Molecular Mass
298.2685432
Exact Mass
298.07537044
Charge
0
InChI
InChI=1S/C16H11FN2O3/c17-14-7-6-11(9-20)8-13(14)16-18-15(22-19-16)10-21-12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
NPONSHQFMXUIGI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)c1noc(n1)COc1ccccc1)F
Isomeric Smiles
c1(nc(on1)COc1ccccc1)c1c(ccc(c1)C=O)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6998546
LogD (pH = 7.4)
3.6998546
Log P
3.6998546
Molar Refractivity
89.2884
Polarizability
29.42167
Polar Surface Area
65.22
Rotatable Bonds
5
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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