Molecule

ID:26732

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂OS
Molecular Mass
274.38122
Exact Mass
274.11398421
Charge
0
InChI
InChI=1S/C15H18N2OS/c1-3-12-10(2)19-14(16)13(12)15(18)17-9-11-7-5-4-6-8-11/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKey
MBSUQPMVJLNNKB-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)sc(c1C(=O)NCc1ccccc1)N
Isomeric Smiles
c1(c(sc(c1CC)C)N)C(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.855317
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.143398
LogD (pH = 7.4)
4.1433983
Log P
4.1433983
Molar Refractivity
80.3103
Polarizability
29.748318
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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