Molecule

ID:44288

General Information
Structure
Molecular Formula
C₁₄H₈FNO₂
Molecular Mass
241.2172232
Exact Mass
241.05390672
Charge
0
InChI
InChI=1S/C14H8FNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
InChIKey
FWPIOVHFUGZTPA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc2ccccc2c(=O)o1
Isomeric Smiles
c1(nc2c(c(=O)o1)cccc2)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4994774
LogD (pH = 7.4)
3.4994774
Log P
3.4994774
Molar Refractivity
66.327
Polarizability
23.972378
Polar Surface Area
38.66
Rotatable Bonds
1
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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