Molecule
ID:97163
General Information
Molecular Formula
C₃H₃ClF₄O
Molecular Mass
166.5019328
Exact Mass
165.98085528
Charge
0
InChI
InChI=1S/C3H3ClF4O/c4-2(5)9-1-3(6,7)8/h2H,1H2
InChIKey
NAFLDUPBEDISHL-UHFFFAOYSA-N
Canonic Smiles
FC(OCC(F)(F)F)Cl
Isomeric Smiles
O(CC(F)(F)F)C(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2130904
LogD (pH = 7.4)
2.2130904
Log P
2.2130904
Molar Refractivity
23.3063
Polarizability
8.832706
Polar Surface Area
9.23
Rotatable Bonds
3
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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