Molecule
ID:97538
General Information
Molecular Formula
C₃ClF₅O
Molecular Mass
182.476516
Exact Mass
181.9557834
Charge
0
InChI
InChI=1S/C3ClF5O/c4-2(6,1(5)10)3(7,8)9
InChIKey
UGXRFLXVVYNTTQ-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(Cl)F
Isomeric Smiles
FC(F)(F)C(F)(Cl)C(=O)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2887933
LogD (pH = 7.4)
2.2887933
Log P
2.2887933
Molar Refractivity
22.4639
Polarizability
8.443275
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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