Molecule

ID:97673

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O₂
Molecular Mass
244.1699896
Exact Mass
244.04596213
Charge
0
InChI
InChI=1S/C10H7F3N2O2/c1-17-9(16)7-4-6-5(14-7)2-3-8(15-6)10(11,12)13/h2-4,14H,1H3
InChIKey
UTXWOBGBLLJBQO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c([nH]1)ccc(n2)C(F)(F)F
Isomeric Smiles
n1c2c(ccc1C(F)(F)F)[nH]c(c2)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.125889
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.427233
LogD (pH = 7.4)
2.4202733
Log P
2.4273627
Molar Refractivity
52.1201
Polarizability
20.277796
Polar Surface Area
54.98
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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