Molecule

ID:97106

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₂N₂O
Molecular Mass
258.2229264
Exact Mass
258.06046933
Charge
0
InChI
InChI=1S/C14H8F2N2O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H
InChIKey
HOVHSZHGKDKRMF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1nnc(o1)c1ccccc1F
Isomeric Smiles
n1c(c2ccccc2F)oc(n1)c1c(cccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.28963
LogD (pH = 7.4)
3.28963
Log P
3.28963
Molar Refractivity
87.6196
Polarizability
25.340994
Polar Surface Area
38.92
Rotatable Bonds
2
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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