Molecule

ID:41106

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClFO₂
Molecular Mass
278.7059832
Exact Mass
278.05098552
Charge
0
InChI
InChI=1S/C15H12ClFO2/c1-10(18)11-4-2-5-12(8-11)19-9-13-14(16)6-3-7-15(13)17/h2-8H,9H2,1H3
InChIKey
ICXRLGDPQGRJAS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)OCc1c(F)cccc1Cl
Isomeric Smiles
c1(COc2cc(C(=O)C)ccc2)c(Cl)cccc1F
Calculated Properties
JChem
Acid pKa
15.9514885
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.844442
LogD (pH = 7.4)
3.844442
Log P
3.844442
Molar Refractivity
72.5578
Polarizability
27.72463
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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