Molecule

ID:86510

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃N₂OS
Molecular Mass
371.66876
Exact Mass
369.95011696
Charge
0
InChI
InChI=1S/C15H9Cl3N2OS/c16-9-1-5-11(6-2-9)19-15-20(13(18)14(21)22-15)12-7-3-10(17)4-8-12/h1-8,13H
InChIKey
FUCTVSUHOZOIRK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/N=C/1\SC(=O)C(N1c1ccc(cc1)Cl)Cl
Isomeric Smiles
N1(c2ccc(cc2)Cl)/C(=N/c2ccc(cc2)Cl)/SC(=O)C1Cl
Calculated Properties
JChem
Acid pKa
12.474703
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.0669646
LogD (pH = 7.4)
6.0853596
Log P
6.085603
Molar Refractivity
94.424
Polarizability
35.363438
Polar Surface Area
32.67
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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