Molecule

ID:52360

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NS
Molecular Mass
275.4521
Exact Mass
275.17077081
Charge
0
InChI
InChI=1S/C17H25NS/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)18-15-19/h11-14H,2-10H2,1H3
InChIKey
KLRFMWXUZQXOFA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCc1ccc(cc1)N=C=S
Isomeric Smiles
c1(ccc(cc1)CCCCCCCCCC)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.5096083
LogD (pH = 7.4)
7.50961
Log P
7.5096107
Molar Refractivity
89.5711
Polarizability
34.449596
Polar Surface Area
12.36
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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