Molecule

ID:59148

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂S
Molecular Mass
274.33816
Exact Mass
274.0775987
Charge
0
InChI
InChI=1S/C14H14N2O2S/c17-19(18,16-12-4-2-1-3-5-12)13-6-7-14-11(10-13)8-9-15-14/h1-7,10,15-16H,8-9H2
InChIKey
BBVBRPHQRCHBEH-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccc2c(c1)CCN2)Nc1ccccc1
Isomeric Smiles
c1(ccc2c(c1)CCN2)S(=O)(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
8.439705
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9723173
LogD (pH = 7.4)
1.9401327
Log P
1.9735777
Molar Refractivity
76.3936
Polarizability
29.202152
Polar Surface Area
58.2
Rotatable Bonds
2
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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