Molecule

ID:77491

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₃S
Molecular Mass
270.34792
Exact Mass
270.10381345
Charge
0
InChI
InChI=1S/C12H18N2O3S/c1-13-10-11-4-2-3-5-12(11)18(15,16)14-6-8-17-9-7-14/h2-5,13H,6-10H2,1H3
InChIKey
ASGSHKVYZRSASF-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1S(=O)(=O)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)S(=O)(=O)c1ccccc1CNC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.466988
LogD (pH = 7.4)
-0.80763745
Log P
0.3664771
Molar Refractivity
70.3318
Polarizability
28.153866
Polar Surface Area
58.64
Rotatable Bonds
3
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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