Molecule

ID:9287

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₃O
Molecular Mass
190.1623696
Exact Mass
190.06054957
Charge
0
InChI
InChI=1S/C9H9F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4,13H,5-6H2
InChIKey
DBKIEXOOUXQPGC-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccccc1C(F)(F)F
Isomeric Smiles
c1ccc(c(c1)CCO)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.796653
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3724058
LogD (pH = 7.4)
2.3724058
Log P
2.3724058
Molar Refractivity
43.6026
Polarizability
15.718746
Polar Surface Area
20.23
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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