Molecule

ID:65631

General Information
Structure
Molecular Formula
C₁₀H₁₃FN₂O₂
Molecular Mass
212.2208232
Exact Mass
212.09610589
Charge
0
InChI
InChI=1S/C10H13FN2O2/c1-10(2,3)9(15)13-8-7(14)4-6(11)5-12-8/h4-5,14H,1-3H3,(H,12,13,15)
InChIKey
ZUBYLGKBVKEDBA-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)O)NC(=O)C(C)(C)C
Isomeric Smiles
c1(c(cc(cn1)F)O)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
7.0692067
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2150586
LogD (pH = 7.4)
1.7498989
Log P
2.2264144
Molar Refractivity
54.9773
Polarizability
20.192635
Polar Surface Area
62.22
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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