Molecule

ID:79790

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNOS₂
Molecular Mass
307.8183
Exact Mass
306.98923363
Charge
0
InChI
InChI=1S/C14H10ClNOS2/c15-8-7-10(17)12-5-6-13(18-12)14-16-9-3-1-2-4-11(9)19-14/h1-6H,7-8H2
InChIKey
ILHUXJBPCOIAQF-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)c1ccc(s1)c1nc2c(s1)cccc2
Isomeric Smiles
n1c(c2ccc(s2)C(=O)CCCl)sc2c1cccc2
Calculated Properties
JChem
Acid pKa
14.041513
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3798027
LogD (pH = 7.4)
4.379833
Log P
4.3798337
Molar Refractivity
88.7597
Polarizability
31.985163
Polar Surface Area
29.96
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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