Molecule

ID:52011

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey
GRUOGLPIAPZLHJ-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCc1ccccc1
Isomeric Smiles
C(CCc1ccccc1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.527353
LogD (pH = 7.4)
3.527353
Log P
3.527353
Molar Refractivity
55.2977
Polarizability
21.546825
Polar Surface Area
12.36
Rotatable Bonds
4
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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