Molecule

ID:33482

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁FN₂O₃
Molecular Mass
298.2685432
Exact Mass
298.07537044
Charge
0
InChI
InChI=1S/C16H11FN2O3/c17-13-5-7-14(8-6-13)21-10-15-18-16(19-22-15)12-3-1-11(9-20)2-4-12/h1-9H,10H2
InChIKey
XZJLMZOZEIIUIR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1noc(n1)COc1ccc(cc1)F
Isomeric Smiles
n1c(noc1COc1ccc(F)cc1)c1ccc(C=O)cc1
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
29.414999
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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