Molecule

ID:51964

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NS
Molecular Mass
191.29262
Exact Mass
191.07687042
Charge
0
InChI
InChI=1S/C11H13NS/c1-8(2)10-6-4-5-9(3)11(10)12-7-13/h4-6,8H,1-3H3
InChIKey
RDFPHTAQERHCES-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(C)cccc1C(C)C
Isomeric Smiles
c1(c(cccc1C)C(C)C)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.753499
LogD (pH = 7.4)
4.7535014
Log P
4.7535014
Molar Refractivity
62.3529
Polarizability
23.288294
Polar Surface Area
12.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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