Molecule

ID:26735

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂OS
Molecular Mass
272.36534
Exact Mass
272.09833414
Charge
0
InChI
InChI=1S/C15H16N2OS/c1-9-2-4-10(5-3-9)12-8-19-14(16)13(12)15(18)17-11-6-7-11/h2-5,8,11H,6-7,16H2,1H3,(H,17,18)
InChIKey
TWGIRVLBAQBXDQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1csc(c1C(=O)NC1CC1)N
Isomeric Smiles
c1(C(=O)NC2CC2)c(csc1N)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
16.088856
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4412854
LogD (pH = 7.4)
3.4412854
Log P
3.4412854
Molar Refractivity
78.3878
Polarizability
30.46142
Polar Surface Area
55.12
Rotatable Bonds
3
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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