Molecule

ID:129396

General Information
Structure
Molecular Formula
C₁₈H₃₀N₂O₂S
Molecular Mass
338.508
Exact Mass
338.20279921
Charge
0
InChI
InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3
InChIKey
AGVNHDNTFYHZNL-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCC(N(S(=O)(=O)c1cccc(c1)C)C)C
Isomeric Smiles
c1ccc(C)cc1S(=O)(=O)N(C)C(C)CCN1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.10297449
LogD (pH = 7.4)
1.7877121
Log P
3.1726146
Molar Refractivity
97.0444
Polarizability
38.417637
Polar Surface Area
40.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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