Molecule

ID:7735

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O₃
Molecular Mass
232.1559896
Exact Mass
232.03472874
Charge
0
InChI
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChIKey
CLKZZEYGXRWYNI-SNAWJCMRSA-N
Canonic Smiles
OC(=O)/C=C/c1cccc(c1)OC(F)(F)F
Isomeric Smiles
c1cc(cc(c1)/C=C/C(=O)O)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
3.6982613
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7667112
LogD (pH = 7.4)
0.26102474
Log P
3.5671978
Molar Refractivity
46.1302
Polarizability
18.216722
Polar Surface Area
46.53
Rotatable Bonds
4
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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