Molecule

ID:51939

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₂O
Molecular Mass
94.0600664
Exact Mass
94.02302119
Charge
0
InChI
InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
InChIKey
HKIPCXRNASWFRU-UHFFFAOYSA-N
Canonic Smiles
FCC(=O)CF
Isomeric Smiles
C(C(=O)CF)F
Calculated Properties
JChem
Acid pKa
14.256637
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.25396726
LogD (pH = 7.4)
0.2539672
Log P
0.25396726
Molar Refractivity
16.215
Polarizability
6.136514
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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