Molecule

ID:56345

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂NOS
Molecular Mass
308.18248
Exact Mass
306.96254021
Charge
0
InChI
InChI=1S/C14H7Cl2NOS/c15-13-6-5-12(19-13)11-7-9(14(16)18)8-3-1-2-4-10(8)17-11/h1-7H
InChIKey
TXJFAGRDZKPZGA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(sc(cc1)Cl)c1nc2c(c(c1)C(=O)Cl)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.902077
LogD (pH = 7.4)
4.902077
Log P
4.902077
Molar Refractivity
76.7128
Polarizability
32.223846
Polar Surface Area
29.96
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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