Molecule

ID:633

General Information
Structure
MolImage
Molecular Formula
C₃H₂ClF₅O
Molecular Mass
184.492396
Exact Mass
183.97143346
Charge
0
InChI
InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey
PIWKPBJCKXDKJR-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(F)(F)F)Cl)F
Isomeric Smiles
ClC(OC(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.835938
LogD (pH = 7.4)
2.835938
Log P
2.835938
Molar Refractivity
23.039
Polarizability
8.948327
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.3
LOG S
-1.72
Solubility (Water)
3.56e+00 g/l
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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