Molecule

ID:41379

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄Cl₂N₂S
Molecular Mass
361.28816
Exact Mass
360.02547482
Charge
0
InChI
InChI=1S/C18H14Cl2N2S/c19-15-8-6-13(7-9-15)11-23-12-16-10-17(20)22-18(21-16)14-4-2-1-3-5-14/h1-10H,11-12H2
InChIKey
SVLGWAUBMFMJJQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CSCc1cc(Cl)nc(n1)c1ccccc1
Isomeric Smiles
n1c(nc(cc1Cl)CSCc1ccc(Cl)cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1833925
LogD (pH = 7.4)
6.1834025
Log P
6.1834025
Molar Refractivity
110.5378
Polarizability
38.945904
Polar Surface Area
25.78
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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