Molecule

ID:78642

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂S₂
Molecular Mass
363.5373
Exact Mass
363.13267105
Charge
0
InChI
InChI=1S/C19H25NO2S2/c1-22-18-6-3-2-5-17(18)15-8-10-20(11-9-15)13-16(21)14-24-19-7-4-12-23-19/h2-7,12,15-16,21H,8-11,13-14H2,1H3
InChIKey
RIZNENMNVRGEFT-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCN(CC1)CC(CSc1cccs1)O
Isomeric Smiles
N1(CC(CSc2cccs2)O)CCC(c2ccccc2OC)CC1
Calculated Properties
JChem
Acid pKa
14.461928
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.96231407
LogD (pH = 7.4)
2.7222502
Log P
3.7900429
Molar Refractivity
102.5162
Polarizability
40.222797
Polar Surface Area
32.7
Rotatable Bonds
7
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
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References
Bioactivity
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