Molecule

ID:22274

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClFO
Molecular Mass
198.6213232
Exact Mass
198.02477078
Charge
0
InChI
InChI=1S/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+
InChIKey
VZRBDBXFAKDNDJ-AATRIKPKSA-N
Canonic Smiles
CC(=O)/C=C/c1c(F)cccc1Cl
Isomeric Smiles
c1ccc(c(c1F)/C=C/C(=O)C)Cl
Calculated Properties
JChem
Acid pKa
19.654581
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2124584
LogD (pH = 7.4)
3.2124584
Log P
3.2124584
Molar Refractivity
51.6322
Polarizability
19.162945
Polar Surface Area
17.07
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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