Molecule

ID:14329

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂S
Molecular Mass
274.33816
Exact Mass
274.0775987
Charge
0
InChI
InChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKey
XKBHHJLZPOQOFS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2
Isomeric Smiles
S(=O)(=O)(N1c2c(CC1)cccc2)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8953013
LogD (pH = 7.4)
1.8955466
Log P
1.8955498
Molar Refractivity
75.7969
Polarizability
29.277134
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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