Molecule

ID:36282

General Information
Structure
Molecular Formula
C₁₉H₂₁FN₂O₄
Molecular Mass
360.3794432
Exact Mass
360.14853538
Charge
0
InChI
InChI=1S/C19H21FN2O4/c1-26-17-8-6-16(7-9-17)22(13-19(24)25)12-18(23)21-11-10-14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23)(H,24,25)
InChIKey
SVATZDUKUSZOQP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCCc1ccc(cc1)F
Isomeric Smiles
N(CC(=O)NCCc1ccc(F)cc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.97781
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.92135715
LogD (pH = 7.4)
-0.7195044
Log P
2.4521546
Molar Refractivity
95.4219
Polarizability
36.061924
Polar Surface Area
78.87
Rotatable Bonds
9
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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