Molecule

ID:97137

General Information
Structure
Molecular Formula
C₃Cl₂F₄
Molecular Mass
182.9317128
Exact Mass
181.93131824
Charge
0
InChI
InChI=1S/C3Cl2F4/c4-1(2(5)6)3(7,8)9
InChIKey
BJDGSGIFQVXSGD-UHFFFAOYSA-N
Canonic Smiles
F/C(=C(\C(F)(F)F)/Cl)/Cl
Isomeric Smiles
Cl/C(=C(/C(F)(F)F)\Cl)/F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.5613732
LogD (pH = 7.4)
2.5613732
Log P
2.5613732
Molar Refractivity
37.0626
Polarizability
9.75582
Polar Surface Area
0.0
Rotatable Bonds
1
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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