Molecule

ID:86328

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂S
Molecular Mass
263.35528
Exact Mass
263.09799979
Charge
0
InChI
InChI=1S/C14H17NO2S/c1-4-17-14(16)13-8-10(2)15(11(13)3)9-12-6-5-7-18-12/h5-8H,4,9H2,1-3H3
InChIKey
KSLDTRFESNVYDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)Cc1cccs1)C
Isomeric Smiles
n1(c(c(cc1C)C(=O)OCC)C)Cc1cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.673568
LogD (pH = 7.4)
3.673568
Log P
3.673568
Molar Refractivity
74.2893
Polarizability
27.842371
Polar Surface Area
31.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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