Molecule

ID:9707

General Information
Structure
MolImage
Molecular Formula
C₃ClF₅O
Molecular Mass
182.476516
Exact Mass
181.9557834
Charge
0
InChI
InChI=1S/C3ClF5O/c4-1(10)2(5,6)3(7,8)9
InChIKey
SHMNLEQWIMKCQA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(C(F)(F)F)(F)F
Isomeric Smiles
C(C(C(=O)Cl)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1429553
LogD (pH = 7.4)
2.1429553
Log P
2.1429553
Molar Refractivity
22.1804
Polarizability
8.456307
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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