Molecule

ID:34784

General Information
Structure
Molecular Formula
C₁₀H₆Cl₂OS
Molecular Mass
245.12504
Exact Mass
243.95164117
Charge
0
InChI
InChI=1S/C10H6Cl2OS/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-4H,5H2
InChIKey
DJCRJCROFFNHCT-UHFFFAOYSA-N
Canonic Smiles
ClC1=C(CSc2c1cc(Cl)cc2)C=O
Isomeric Smiles
C1(=C(CSc2c1cc(cc2)Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8933733
LogD (pH = 7.4)
2.8933733
Log P
2.8933733
Molar Refractivity
62.3341
Polarizability
23.637491
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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