Molecule

ID:37262

General Information
Structure
Molecular Formula
C₁₄H₁₀ClFO₃
Molecular Mass
280.6788032
Exact Mass
280.03025008
Charge
0
InChI
InChI=1S/C14H10ClFO3/c15-13-7-11(16)5-4-10(13)8-19-12-3-1-2-9(6-12)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
YDNBYDYFLWJGTC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)COc1cccc(c1)C(=O)O
Isomeric Smiles
c1(cc(ccc1)C(=O)O)OCc1ccc(cc1Cl)F
Calculated Properties
JChem
Acid pKa
3.837292
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2781909
LogD (pH = 7.4)
0.6995185
Log P
3.9443772
Molar Refractivity
69.4112
Polarizability
26.378988
Polar Surface Area
46.53
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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