Molecule

ID:76826

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂S
Molecular Mass
308.43896
Exact Mass
308.15584902
Charge
0
InChI
InChI=1S/C16H24N2O2S/c1-15(2)8-13-9-16(3,10-15)11-18(13)21(19,20)14-6-4-5-12(17)7-14/h4-7,13H,8-11,17H2,1-3H3/t13?,16-/m0/s1
InChIKey
SBJAAFMZXQXSCV-VYIIXAMBSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)N1C[C@]2(C[C@@H]1CC(C2)(C)C)C
Isomeric Smiles
N1([C@@H]2C[C@](C1)(CC(C2)(C)C)C)S(=O)(=O)c1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4084933
LogD (pH = 7.4)
2.4089065
Log P
2.4089117
Molar Refractivity
85.2847
Polarizability
33.6983
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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