Molecule
ID:96370
General Information
Molecular Formula
C₉H₆ClFO
Molecular Mass
184.5947432
Exact Mass
184.00912071
Charge
0
InChI
InChI=1S/C9H6ClFO/c10-9(5-6-12)7-1-3-8(11)4-2-7/h1-6H
InChIKey
PMRMSGNJEJXYGD-UHFFFAOYSA-N
Canonic Smiles
O=C/C=C(/c1ccc(cc1)F)\Cl
Isomeric Smiles
O=C/C=C(/c1ccc(cc1)F)\Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.274235
LogD (pH = 7.4)
2.274235
Log P
2.274235
Molar Refractivity
47.0671
Polarizability
17.286278
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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