Molecule

ID:56803

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂OS
Molecular Mass
245.12504
Exact Mass
243.95164117
Charge
0
InChI
InChI=1S/C10H6Cl2OS/c1-5-3-2-4-6-7(5)8(11)9(14-6)10(12)13/h2-4H,1H3
InChIKey
OMPPFJZWQYQNII-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1Cl)c(C)ccc2
Isomeric Smiles
c1(c(c2c(s1)cccc2C)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2900887
LogD (pH = 7.4)
4.2900887
Log P
4.2900887
Molar Refractivity
60.1429
Polarizability
23.950474
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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