Molecule

ID:100201

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₂F
Molecular Mass
205.0562832
Exact Mass
203.9908838
Charge
0
InChI
InChI=1S/C9H7Cl2F/c1-6(10)4-7-2-3-9(12)8(11)5-7/h2-3,5H,1,4H2
InChIKey
LQACEUSXZKRYDK-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1ccc(c(c1)Cl)F
Isomeric Smiles
Fc1c(cc(cc1)CC(=C)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8994188
LogD (pH = 7.4)
3.8994188
Log P
3.8994188
Molar Refractivity
50.2367
Polarizability
19.043943
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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