Molecule

ID:22572

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂O₂S
Molecular Mass
272.3389832
Exact Mass
272.09947701
Charge
0
InChI
InChI=1S/C12H17FN2O2S/c1-2-18(16,17)10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKey
ZGXFBHQTAPXKIK-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(c(c1)F)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1c(cc(cc1)S(=O)(=O)CC)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8003107
LogD (pH = 7.4)
-0.14317283
Log P
1.037369
Molar Refractivity
70.1276
Polarizability
27.157038
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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