Molecule

ID:101303

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NS
Molecular Mass
185.24498
Exact Mass
185.02992023
Charge
0
InChI
InChI=1S/C11H7NS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-6,8H
InChIKey
GRAMVGQZHXAXHP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)c1cscc1
Isomeric Smiles
c1(c2ccc(C#N)cc2)cscc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2570093
LogD (pH = 7.4)
3.2570093
Log P
3.2570093
Molar Refractivity
54.0216
Polarizability
21.795517
Polar Surface Area
23.79
Rotatable Bonds
1
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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