Molecule

ID:11623

General Information
Structure
Molecular Formula
C₁₀H₉FN₂O₂
Molecular Mass
208.1890632
Exact Mass
208.06480576
Charge
0
InChI
InChI=1S/C10H9FN2O2/c1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9/h2-4,13H,12H2,1H3
InChIKey
NPLGYDWUOAONMC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c2c(c1N)cc(cc2)F
Isomeric Smiles
c1(c(c2c([nH]1)ccc(c2)F)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.260714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9592619
LogD (pH = 7.4)
1.9592618
Log P
1.9592619
Molar Refractivity
53.9641
Polarizability
20.775372
Polar Surface Area
68.11
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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