Molecule

ID:7648

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClFO
Molecular Mass
174.5999232
Exact Mass
174.02477078
Charge
0
InChI
InChI=1S/C8H8ClFO/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4H,1-2H3
InChIKey
YFEYEJLNBZOHSD-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)ccc(c1Cl)C
Isomeric Smiles
c1cc(c(c(c1F)OC)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0757425
LogD (pH = 7.4)
3.0757425
Log P
3.0757425
Molar Refractivity
42.5836
Polarizability
16.22542
Polar Surface Area
9.23
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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