Molecule

ID:28853

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₉NS
Molecular Mass
337.60606
Exact Mass
337.28032125
Charge
0
InChI
InChI=1S/C21H39NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-20-21-17-16-19-23-21/h16-17,19,22H,2-15,18,20H2,1H3
InChIKey
VURMRPLLFYFVEC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1cccs1
Isomeric Smiles
s1c(ccc1)CNCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.9331717
LogD (pH = 7.4)
6.0432205
Log P
8.103199
Molar Refractivity
105.2815
Polarizability
41.864136
Polar Surface Area
12.03
Rotatable Bonds
17
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
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Molecule Details
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References
Bioactivity
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