Molecule

ID:9760

General Information
Structure
Molecular Formula
C₃H₂ClF₅O₂
Molecular Mass
200.491796
Exact Mass
199.96634808
Charge
0
InChI
InChI=1S/C3ClF5O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2
InChIKey
CMMNKPFHVMVGQH-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(F)F)C(F)(F)F.O
Isomeric Smiles
O=C(C(F)(F)F)C(F)(Cl)F.O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5776236
LogD (pH = 7.4)
2.5776236
Log P
2.5776236
Molar Refractivity
23.05
Polarizability
8.44265
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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