Molecule

ID:14263

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃S
Molecular Mass
256.32134
Exact Mass
256.08816338
Charge
0
InChI
InChI=1S/C11H16N2O3S/c1-16-10-2-4-11(5-3-10)17(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
RYCVCXVHXZLECQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3286155
LogD (pH = 7.4)
0.13443832
Log P
0.3330291
Molar Refractivity
65.2279
Polarizability
26.307161
Polar Surface Area
58.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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