Molecule

ID:100202

General Information
Structure
Molecular Formula
C₁₀H₁₀ClF
Molecular Mass
184.6378032
Exact Mass
184.04550622
Charge
0
InChI
InChI=1S/C10H10ClF/c1-7(2)5-8-3-4-10(12)9(11)6-8/h3-4,6H,1,5H2,2H3
InChIKey
IFAWBMSJFZUJJG-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccc(c(c1)Cl)F
Isomeric Smiles
Fc1c(cc(cc1)CC(=C)C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0619245
LogD (pH = 7.4)
4.0619245
Log P
4.0619245
Molar Refractivity
49.6485
Polarizability
18.996346
Polar Surface Area
0.0
Rotatable Bonds
2
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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