Molecule

ID:126851

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂OS
Molecular Mass
284.37604
Exact Mass
284.09833414
Charge
0
InChI
InChI=1S/C16H16N2OS/c1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,11H2,1-2H3
InChIKey
HKUCYAHWPVLPFN-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)N1c2ccccc2Sc2c1cccc2)C
Isomeric Smiles
O=C(N1c2c(Sc3c1cccc3)cccc2)CN(C)C
Calculated Properties
JChem
Acid pKa
16.199299
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3261839
LogD (pH = 7.4)
2.6931314
Log P
2.8399827
Molar Refractivity
83.8696
Polarizability
32.316544
Polar Surface Area
23.55
Rotatable Bonds
2
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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