Molecule

ID:104140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂S
Molecular Mass
261.76824
Exact Mass
261.05902744
Charge
0
InChI
InChI=1S/C11H15NO2S.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1
InChIKey
QVJDVOZRQMIIHP-PPHPATTJSA-N
Canonic Smiles
COC(=O)[C@H](CSCc1ccccc1)N.Cl
Isomeric Smiles
Cl.COC(=O)[C@@H](N)CSCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.08911727
LogD (pH = 7.4)
1.4676838
Log P
1.6234391
Molar Refractivity
62.3055
Polarizability
24.886658
Polar Surface Area
52.32
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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