Molecule

ID:37255

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClFO₄
Molecular Mass
310.7047832
Exact Mass
310.04081476
Charge
0
InChI
InChI=1S/C15H12ClFO4/c1-20-14-6-9(15(18)19)3-5-13(14)21-8-10-2-4-11(17)7-12(10)16/h2-7H,8H2,1H3,(H,18,19)
InChIKey
RONHDCGYFVAOMQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccc(cc1Cl)F)C(=O)O
Isomeric Smiles
c1cc(cc(c1OCc1ccc(cc1Cl)F)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1327415
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.404172
LogD (pH = 7.4)
0.7086335
Log P
3.786706
Molar Refractivity
75.8744
Polarizability
28.933975
Polar Surface Area
55.76
Rotatable Bonds
5
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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