Molecule

ID:126850

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂FNO₄
Molecular Mass
395.4234832
Exact Mass
395.15328641
Charge
0
InChI
InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
InChIKey
DCRZYADKQRHHSF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)CN(c1cc(F)ccc1Oc1ccccc1)C(=O)C)OC
Isomeric Smiles
c1ccccc1Oc1ccc(F)cc1N(C(=O)C)Cc1cc(OC)ccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.127142
LogD (pH = 7.4)
4.127142
Log P
4.127142
Molar Refractivity
108.0331
Polarizability
41.66005
Polar Surface Area
48.0
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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