Molecule

ID:26787

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₂S
Molecular Mass
320.3817832
Exact Mass
320.09947701
Charge
0
InChI
InChI=1S/C16H17FN2O2S/c1-11-2-3-12-10-13(17)4-9-16(12)19(11)22(20,21)15-7-5-14(18)6-8-15/h4-11H,2-3,18H2,1H3
InChIKey
RTZPTSSDADQAHF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)N1C(C)CCc2c1ccc(c2)F
Isomeric Smiles
S(=O)(=O)(N1c2c(cc(cc2)F)CCC1C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.89916
LogD (pH = 7.4)
2.8993924
Log P
2.8993952
Molar Refractivity
85.0331
Polarizability
32.639656
Polar Surface Area
63.4
Rotatable Bonds
1
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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