Molecule

ID:7118

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClF₃NO₃
Molecular Mass
345.7009496
Exact Mass
345.03795556
Charge
0
InChI
InChI=1S/C15H11ClF3NO3/c1-2-22-14(21)9-3-5-11(6-4-9)23-13-12(16)7-10(8-20-13)15(17,18)19/h3-8H,2H2,1H3
InChIKey
TUPASNXVBALDOQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)Cl)Oc1ccc(cc1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.692496
LogD (pH = 7.4)
4.6924963
Log P
4.6924963
Molar Refractivity
78.0078
Polarizability
29.198286
Polar Surface Area
48.42
Rotatable Bonds
6
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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