Molecule

ID:94564

General Information
Structure
MolImage
Molecular Formula
C₃ClF₅O
Molecular Mass
182.476516
Exact Mass
181.9557834
Charge
0
InChI
InChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9
InChIKey
OJUUDWYPNQALHZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(F)F)C(F)(F)F
Isomeric Smiles
O=C(C(F)(F)F)C(Cl)(F)F
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation