Molecule

ID:29270

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂S
Molecular Mass
263.35528
Exact Mass
263.09799979
Charge
0
InChI
InChI=1S/C14H17NO2S/c1-16-12-4-6-13(7-5-12)17-9-8-15-11-14-3-2-10-18-14/h2-7,10,15H,8-9,11H2,1H3
InChIKey
VYGVCUFNENRLOP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCNCc1cccs1
Isomeric Smiles
s1c(ccc1)CNCCOc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.051358953
LogD (pH = 7.4)
1.4932313
Log P
2.9308543
Molar Refractivity
73.2113
Polarizability
28.813847
Polar Surface Area
30.49
Rotatable Bonds
7
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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