Molecule

ID:26601

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀N₂OS
Molecular Mass
334.5193
Exact Mass
334.20788459
Charge
0
InChI
InChI=1S/C19H30N2OS/c1-4-19(2,3)12-9-10-14-15(11-12)23-17(20)16(14)18(22)21-13-7-5-6-8-13/h12-13H,4-11,20H2,1-3H3,(H,21,22)
InChIKey
UDSQYMLQUNFHMV-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)sc(c2C(=O)NC1CCCC1)N)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)NC1CCCC1
Calculated Properties
JChem
Acid pKa
15.942863
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.5176888
LogD (pH = 7.4)
5.517692
Log P
5.517692
Molar Refractivity
97.607
Polarizability
37.115295
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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