Molecule

ID:81995

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂N₂OS
Molecular Mass
323.19712
Exact Mass
321.97343925
Charge
0
InChI
InChI=1S/C14H8Cl2N2OS/c15-12-9(5-3-7-17-12)18-14(19)11-8-4-1-2-6-10(8)20-13(11)16/h1-7H,(H,18,19)
InChIKey
BLVILLJBOVNLCB-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1NC(=O)c1c(Cl)sc2c1cccc2
Isomeric Smiles
s1c(c(c2ccccc12)C(=O)Nc1c(nccc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
8.908806
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3175745
LogD (pH = 7.4)
4.305157
Log P
4.3177457
Molar Refractivity
82.6055
Polarizability
32.12525
Polar Surface Area
41.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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