Molecule

ID:50076

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClFO₂
Molecular Mass
216.6366032
Exact Mass
216.03533546
Charge
0
InChI
InChI=1S/C10H10ClFO2/c1-2-3-14-10-7(6-13)4-8(12)5-9(10)11/h4-6H,2-3H2,1H3
InChIKey
HIOIJVBQFLNSHH-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(Cl)cc(cc1C=O)F
Isomeric Smiles
c1(c(c(cc(c1)F)Cl)OCCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1541538
LogD (pH = 7.4)
3.1541538
Log P
3.1541538
Molar Refractivity
53.399
Polarizability
20.070713
Polar Surface Area
26.3
Rotatable Bonds
4
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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