Molecule

ID:90308

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂O₂S
Molecular Mass
298.44414
Exact Mass
298.17149908
Charge
0
InChI
InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3
InChIKey
UGRVYFQFDZRNMQ-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)NN
Calculated Properties
JChem
Acid pKa
10.4927435
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.01777
LogD (pH = 7.4)
4.0176873
Log P
4.0178285
Molar Refractivity
85.2724
Polarizability
33.36377
Polar Surface Area
72.19
Rotatable Bonds
4
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
References
Bioactivity
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