Molecule

ID:11263

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂OS
Molecular Mass
306.8104
Exact Mass
306.05936179
Charge
0
InChI
InChI=1S/C15H14N2OS.ClH/c16-10-9-15(18)17-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)17;/h1-8H,9-10,16H2;1H
InChIKey
ZKJFPNHMMGRCGN-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1c2ccccc2Sc2c1cccc2.Cl
Isomeric Smiles
N1(c2c(Sc3c1cccc3)cccc2)C(=O)CCN.Cl
Calculated Properties
JChem
Acid pKa
18.674452
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6725247
LogD (pH = 7.4)
0.5507843
Log P
2.2613673
Molar Refractivity
78.4997
Polarizability
30.472
Polar Surface Area
46.33
Rotatable Bonds
2
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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