Molecule

ID:41409

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClFO₂
Molecular Mass
290.7166832
Exact Mass
290.05098552
Charge
0
InChI
InChI=1S/C16H12ClFO2/c1-11(19)6-7-12-4-2-3-5-16(12)20-13-8-9-14(17)15(18)10-13/h2-10H,1H3/b7-6+
InChIKey
JODCITOIRNBODB-VOTSOKGWSA-N
Canonic Smiles
CC(=O)/C=C/c1ccccc1Oc1ccc(c(c1)F)Cl
Isomeric Smiles
C(=C\C(=O)C)/c1c(Oc2cc(c(cc2)Cl)F)cccc1
Calculated Properties
JChem
Acid pKa
19.664555
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7127457
LogD (pH = 7.4)
4.7127457
Log P
4.7127457
Molar Refractivity
77.873
Polarizability
29.477896
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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