Molecule

ID:106523

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃FN₂O₄
Molecular Mass
386.4167232
Exact Mass
386.16418545
Charge
0
InChI
InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
InChIKey
ASXVEBPEZMSPHB-YJBOKZPZSA-N
Canonic Smiles
FCC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C
Isomeric Smiles
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF
Calculated Properties
JChem
Acid pKa
12.239405
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.107176
LogD (pH = 7.4)
3.1071706
Log P
3.107176
Molar Refractivity
101.6549
Polarizability
39.398052
Polar Surface Area
84.5
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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