Molecule

ID:69981

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₂S
Molecular Mass
340.4393
Exact Mass
340.12454889
Charge
0
InChI
InChI=1S/C19H20N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-13-11-19(15-20,12-14-21)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKey
RQTVIKMRXYJTDX-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Isomeric Smiles
N1(CCC(CC1)(C#N)c1ccccc1)S(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3609278
LogD (pH = 7.4)
3.3609278
Log P
3.3609278
Molar Refractivity
95.0077
Polarizability
37.115433
Polar Surface Area
61.17
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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