Molecule

ID:97156

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClF₂
Molecular Mass
124.5164264
Exact Mass
123.98913422
Charge
0
InChI
InChI=1S/C4H3ClF2/c1-2-3(5)4(6)7/h2H,1H2
InChIKey
HVTSUTQWLSPXAS-UHFFFAOYSA-N
Canonic Smiles
C=CC(=C(F)F)Cl
Isomeric Smiles
FC(=C(C=C)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0499375
LogD (pH = 7.4)
2.0499375
Log P
2.0499375
Molar Refractivity
36.1402
Polarizability
9.142385
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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