Molecule

ID:97537

General Information
Structure
Molecular Formula
C₃ClF₅O
Molecular Mass
182.476516
Exact Mass
181.9557834
Charge
0
InChI
InChI=1S/C3ClF5O/c4-3(8,9)2(6,7)1(5)10
InChIKey
LEUNDTZNUNGZFN-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(Cl)(F)F)(F)F
Isomeric Smiles
ClC(F)(F)C(F)(F)C(=O)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0620527
LogD (pH = 7.4)
2.0620527
Log P
2.0620527
Molar Refractivity
22.3802
Polarizability
8.445672
Polar Surface Area
17.07
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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