Molecule

ID:11262

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂OS
Molecular Mass
320.83698
Exact Mass
320.07501185
Charge
0
InChI
InChI=1S/C16H16N2OS.ClH/c17-11-5-10-16(19)18-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)18;/h1-4,6-9H,5,10-11,17H2;1H
InChIKey
NYLJHEYIUSJREZ-UHFFFAOYSA-N
Canonic Smiles
NCCCC(=O)N1c2ccccc2Sc2c1cccc2.Cl
Isomeric Smiles
N1(c2c(Sc3c1cccc3)cccc2)C(=O)CCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4682273
LogD (pH = 7.4)
0.09189434
Log P
2.5500286
Molar Refractivity
83.2547
Polarizability
32.316803
Polar Surface Area
46.33
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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