Molecule

ID:50075

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClFO₂
Molecular Mass
202.6100232
Exact Mass
202.0196854
Charge
0
InChI
InChI=1S/C9H8ClFO2/c1-2-13-9-6(5-12)3-7(11)4-8(9)10/h3-5H,2H2,1H3
InChIKey
YMQHBZMWPAQIGU-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(Cl)cc(cc1C=O)F
Isomeric Smiles
c1(c(c(cc(c1)F)Cl)OCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6316314
LogD (pH = 7.4)
2.6316314
Log P
2.6316314
Molar Refractivity
48.875
Polarizability
18.25184
Polar Surface Area
26.3
Rotatable Bonds
3
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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