Molecule

ID:11525

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O₃S
Molecular Mass
306.80886
Exact Mass
306.08049116
Charge
0
InChI
InChI=1S/C12H18N2O3S.ClH/c1-10-3-4-11(17-2)12(9-10)18(15,16)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H
InChIKey
GYUGXVLUDPOPBO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)N1CCNCC1)C.Cl
Isomeric Smiles
C1NCCN(C1)S(=O)(=O)c1cc(ccc1OC)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.81519324
LogD (pH = 7.4)
0.6478601
Log P
0.8464505
Molar Refractivity
70.2691
Polarizability
28.06954
Polar Surface Area
58.64
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
No Data Available
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Molecule Details
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References
Bioactivity
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