Molecule

ID:119044

General Information
Structure
Molecular Formula
C₁₉H₁₈FNO₅
Molecular Mass
359.3483232
Exact Mass
359.1169009
Charge
0
InChI
InChI=1S/C19H18FNO5/c1-21(19(23)12-3-5-14(20)6-4-12)8-7-13-9-16-18(26-11-25-16)17(24-2)15(13)10-22/h3-6,9-10H,7-8,11H2,1-2H3
InChIKey
DLJSYZUXSVIVFJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(CCN(C(=O)c2ccc(cc2)F)C)cc2c(c1OC)OCO2
Isomeric Smiles
c12c(c(c(cc1OCO2)CCN(C(=O)c1ccc(cc1)F)C)C=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.6051385
LogD (pH = 7.4)
2.605139
Log P
2.605139
Molar Refractivity
93.3279
Polarizability
34.907936
Polar Surface Area
65.07
Rotatable Bonds
6
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
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References
Bioactivity
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