Molecule

ID:74782

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂Cl₂N₂O₂S
Molecular Mass
377.32908
Exact Mass
376.07790431
Charge
0
InChI
InChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
InChIKey
FGWDLQXTCSKXSK-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCNS(=O)(=O)c1ccc2c(c1)cccc2Cl.Cl
Isomeric Smiles
S(=O)(=O)(c1ccc2c(c1)cccc2Cl)NCCCCCCN.Cl
Calculated Properties
JChem
Acid pKa
9.83004
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.043599457
LogD (pH = 7.4)
0.5080604
Log P
2.489403
Molar Refractivity
91.0294
Polarizability
37.55062
Polar Surface Area
72.19
Rotatable Bonds
7
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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