Molecule

ID:30215

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂S
Molecular Mass
239.33388
Exact Mass
239.09799979
Charge
0
InChI
InChI=1S/C12H17NO2S/c14-16(15)9-7-12(10-16)13-8-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
GJFFBAFTFQNHEX-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCC(C1)NCCc1ccccc1
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.231575
LogD (pH = 7.4)
-0.571422
Log P
0.6003395
Molar Refractivity
64.612
Polarizability
26.269299
Polar Surface Area
46.17
Rotatable Bonds
4
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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