Molecule

ID:99067

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆FNO₂
Molecular Mass
203.1692432
Exact Mass
203.03825666
Charge
0
InChI
InChI=1S/C11H6FNO2/c1-6-8-4-7(12)2-3-10(8)15-11(14)9(6)5-13/h2-4H,1H3
InChIKey
PVZRETKTYNNESC-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C#N)c(=O)oc2c1cc(F)cc2
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.037315
LogD (pH = 7.4)
2.037315
Log P
2.037315
Molar Refractivity
51.1006
Polarizability
18.94756
Polar Surface Area
50.09
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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