Molecule

ID:97441

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄O
Molecular Mass
180.0996728
Exact Mass
180.01982763
Charge
0
InChI
InChI=1S/C7H4F4O/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3,12H
InChIKey
UDHBWKRKZXAQPJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1O)C(F)(F)F
Isomeric Smiles
Oc1c(cccc1C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
7.3367534
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6840084
LogD (pH = 7.4)
2.3608809
Log P
2.6902308
Molar Refractivity
34.229
Polarizability
12.14654
Polar Surface Area
20.23
Rotatable Bonds
1
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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