Molecule
ID:84980
General Information
Molecular Formula
C₁₀H₇Cl₃S₂
Molecular Mass
297.65158
Exact Mass
295.90547526
Charge
0
InChI
InChI=1S/C10H7Cl3S2/c11-10(12,13)9(7-3-1-5-14-7)8-4-2-6-15-8/h1-6,9H
InChIKey
JYGAGLPBYNQOEE-UHFFFAOYSA-N
Canonic Smiles
ClC(C(c1cccs1)c1cccs1)(Cl)Cl
Isomeric Smiles
s1c(ccc1)C(c1cccs1)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.075176
LogD (pH = 7.4)
5.075176
Log P
5.075176
Molar Refractivity
69.4859
Polarizability
26.480337
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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