Molecule

ID:9233

General Information
Structure
Molecular Formula
C₁₀H₇F₃O₂
Molecular Mass
216.1565896
Exact Mass
216.03981412
Charge
0
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChIKey
KSBWHDDGWSYETA-SNAWJCMRSA-N
Canonic Smiles
OC(=O)/C=C/c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1)C(F)(F)F)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
3.8364806
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.346965
LogD (pH = 7.4)
-0.23131375
Log P
3.0139349
Molar Refractivity
49.0336
Polarizability
17.424515
Polar Surface Area
37.3
Rotatable Bonds
3
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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