Molecule

ID:135487

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO₂S
Molecular Mass
367.5044
Exact Mass
367.16060005
Charge
0
InChI
InChI=1S/C22H25NO2S/c1-3-5-13-23(14-6-4-2)20-12-11-16(26-20)15-19-21(24)17-9-7-8-10-18(17)22(19)25/h7-12,15H,3-6,13-14H2,1-2H3
InChIKey
KEOWQFSDZLMXFK-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(s1)/C=C/1\C(=O)c2c(C1=O)cccc2)CCCC
Isomeric Smiles
CCCCN(CCCC)c1ccc(s1)/C=C/1\C(=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.093281
LogD (pH = 7.4)
6.093281
Log P
6.093281
Molar Refractivity
108.936
Polarizability
41.011253
Polar Surface Area
37.38
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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