Molecule

ID:8782

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₆F₅NO₄
Molecular Mass
477.380156
Exact Mass
477.0999491
Charge
0
InChI
InChI=1S/C24H16F5NO4/c25-18-15(19(26)21(28)22(29)20(18)27)9-17(23(31)32)30-24(33)34-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,16-17H,9-10H2,(H,30,33)(H,31,32)/t17-/m0/s1
InChIKey
DLOGILOIJKBYKA-KRWDZBQOSA-N
Canonic Smiles
O=C(N[C@H](C(=O)O)Cc1c(F)c(F)c(c(c1F)F)F)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
O=C([C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)OCC1c2c(c3c1cccc3)cccc2)O
Calculated Properties
JChem
Acid pKa
3.1044238
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.048623
LogD (pH = 7.4)
1.954287
Log P
5.415153
Molar Refractivity
110.2781
Polarizability
42.18892
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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