Molecule

ID:52565

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₅NS
Molecular Mass
301.4048
Exact Mass
301.09252049
Charge
0
InChI
InChI=1S/C20H15NS/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey
ZPZHAUXTGFNYTN-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(c1ccccc1)(c1ccccc1)(c1ccccc1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.2266054
LogD (pH = 7.4)
6.2266054
Log P
6.2266054
Molar Refractivity
96.3793
Polarizability
37.206043
Polar Surface Area
12.36
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation