Molecule

ID:121993

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₃S
Molecular Mass
254.30546
Exact Mass
254.07251332
Charge
0
InChI
InChI=1S/C11H14N2O3S/c12-17(15,16)10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2,(H2,12,15,16)
InChIKey
UQWGVFXKECEGDQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1Cc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1ccc(CN2C(=O)CCC2)cc1)N
Calculated Properties
JChem
Acid pKa
10.217167
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.02543683
LogD (pH = 7.4)
-0.02601503
Log P
-0.025429346
Molar Refractivity
63.9251
Polarizability
25.331951
Polar Surface Area
80.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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