Molecule

ID:62626

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂S
Molecular Mass
288.79358
Exact Mass
288.06992647
Charge
0
InChI
InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-6-2-3-11(9-15)7-10-4-5-14-12(13)8-10/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKey
CGMYRWOJHUWOTQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)CC1CCCN(C1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CC(Cc2cc(ncc2)Cl)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3123479
LogD (pH = 7.4)
1.3123634
Log P
1.3123636
Molar Refractivity
72.8791
Polarizability
28.877235
Polar Surface Area
50.27
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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