Molecule

ID:22539

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₂S
Molecular Mass
320.3817832
Exact Mass
320.09947701
Charge
0
InChI
InChI=1S/C16H17FN2O2S/c17-15-12-14(22(20,21)13-4-2-1-3-5-13)6-7-16(15)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
InChIKey
QDJNVLAMKGYDKO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCNCC1)S(=O)(=O)c1ccccc1
Isomeric Smiles
N1(CCNCC1)c1c(cc(cc1)S(=O)(=O)c1ccccc1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.19713704
LogD (pH = 7.4)
1.4587442
Log P
2.6428978
Molar Refractivity
84.9906
Polarizability
33.34993
Polar Surface Area
49.41
Rotatable Bonds
3
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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