Molecule

ID:59889

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃FN₂O₅S
Molecular Mass
386.4383232
Exact Mass
386.13117107
Charge
0
InChI
InChI=1S/C17H23FN2O5S/c1-11(2)15(17(22)23)19-16(21)12-4-3-9-20(10-12)26(24,25)14-7-5-13(18)6-8-14/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,19,21)(H,22,23)/t12?,15-/m0/s1
InChIKey
NVRXRJHRMXPAGC-CVRLYYSRSA-N
Canonic Smiles
CC([C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)N[C@H](C(=O)O)C(C)C)CCC1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.2554517
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.4757763
LogD (pH = 7.4)
-1.6858487
Log P
1.749325
Molar Refractivity
92.7466
Polarizability
36.683735
Polar Surface Area
103.78
Rotatable Bonds
5
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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