Molecule

ID:94565

General Information
Structure
MolImage
Molecular Formula
C₃H₂ClF₅O₂
Molecular Mass
200.491796
Exact Mass
199.96634808
Charge
0
InChI
InChI=1S/C3H2ClF5O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
InChIKey
KODPWAQOSRGQFM-UHFFFAOYSA-N
Canonic Smiles
OC(C(Cl)(F)F)(C(F)(F)F)O
Isomeric Smiles
OC(C(Cl)(F)F)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
5.376338
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0984454
LogD (pH = 7.4)
-0.82571703
Log P
1.468385
Molar Refractivity
25.1338
Polarizability
9.687051
Polar Surface Area
40.46
Rotatable Bonds
2
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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