Molecule

ID:92090

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NS
Molecular Mass
191.29262
Exact Mass
191.07687042
Charge
0
InChI
InChI=1S/C11H13NS/c1-11(2,8-12-9-13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
YZIUHDOKQKFUFW-UHFFFAOYSA-N
Canonic Smiles
S=C=NCC(c1ccccc1)(C)C
Isomeric Smiles
N(=C=S)CC(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.825758
LogD (pH = 7.4)
3.825758
Log P
3.825758
Molar Refractivity
59.5664
Polarizability
23.39083
Polar Surface Area
12.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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