Molecule

ID:6598

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₂N₂O
Molecular Mass
222.1908264
Exact Mass
222.06046933
Charge
0
InChI
InChI=1S/C11H8F2N2O/c12-7-3-4-10(8(13)6-7)16-11-9(14)2-1-5-15-11/h1-6H,14H2
InChIKey
LCPVQAHEFVXVKT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)Oc1ncccc1N
Isomeric Smiles
c1(Oc2ccc(cc2F)F)c(cccn1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3065507
LogD (pH = 7.4)
2.306793
Log P
2.306796
Molar Refractivity
55.5886
Polarizability
20.317722
Polar Surface Area
48.14
Rotatable Bonds
2
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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