Molecule

ID:31585

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-9-4-5-10(12)8-11(9)16(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
UDEIYYXNTJDYDJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1S(=O)(=O)N1CCCC1)N
Isomeric Smiles
S(=O)(=O)(c1cc(N)ccc1C)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1156058
LogD (pH = 7.4)
1.116905
Log P
1.1169217
Molar Refractivity
65.2919
Polarizability
25.155735
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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