Molecule

ID:52357

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NS
Molecular Mass
155.26052
Exact Mass
155.07687042
Charge
0
InChI
InChI=1S/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
InChIKey
RYBJNWIQNLZNPE-UHFFFAOYSA-N
Canonic Smiles
S=C=NCC1CCCCC1
Isomeric Smiles
C1(CCCCC1)CN=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1839333
LogD (pH = 7.4)
3.1839333
Log P
3.1839333
Molar Refractivity
47.0741
Polarizability
18.63358
Polar Surface Area
12.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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