Molecule

ID:7436

General Information
Structure
Molecular Formula
C₂₄H₁₉F₂NO₄
Molecular Mass
423.4087664
Exact Mass
423.12821453
Charge
0
InChI
InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKey
IHSYIDJNVXPQRM-QFIPXVFZSA-N
Canonic Smiles
O=C(N[C@H](C(=O)O)Cc1ccc(c(c1)F)F)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
[C@H](NC(=O)OCC1c2c(c3c1cccc3)cccc2)(Cc1ccc(c(c1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.714723
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.202465
LogD (pH = 7.4)
1.6875644
Log P
4.987047
Molar Refractivity
109.6289
Polarizability
42.92017
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation