Molecule

ID:7176

General Information
Structure
Molecular Formula
C₃H₄ClF
Molecular Mass
94.5152632
Exact Mass
93.99855603
Charge
0
InChI
InChI=1S/C3H4ClF/c1-3(5)2-4/h1-2H2
InChIKey
OOFDLUQVLPGWMM-UHFFFAOYSA-N
Canonic Smiles
FC(=C)CCl
Isomeric Smiles
C(=C)(CCl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.342685
LogD (pH = 7.4)
1.342685
Log P
1.342685
Molar Refractivity
20.6028
Polarizability
7.6609793
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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