Molecule

ID:41865

General Information
Structure
Molecular Formula
C₁₈H₁₆Cl₂N₂S
Molecular Mass
363.30404
Exact Mass
362.04112488
Charge
0
InChI
InChI=1S/C18H16Cl2N2S/c1-22-18(23-12-13-7-9-15(20)10-8-13)16(11-19)17(21-22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey
VFLTUEGOAUISLE-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(SCc2ccc(cc2)Cl)n(nc1c1ccccc1)C
Isomeric Smiles
c1(c(n(nc1c1ccccc1)C)SCc1ccc(Cl)cc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.963621
LogD (pH = 7.4)
5.963671
Log P
5.9636717
Molar Refractivity
111.0713
Polarizability
39.85151
Polar Surface Area
17.82
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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