Molecule

ID:82279

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂NO₂S
Molecular Mass
300.16048
Exact Mass
298.95745483
Charge
0
InChI
InChI=1S/C12H7Cl2NO2S/c13-9-6-11(15(16)17)12(7-10(9)14)18-8-4-2-1-3-5-8/h1-7H
InChIKey
VRGZONXQCNCZPQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(cc1Sc1ccccc1)Cl
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)Cl)Cl)Sc1ccccc1)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3100686
LogD (pH = 7.4)
5.3100686
Log P
5.3100686
Molar Refractivity
75.6764
Polarizability
28.651638
Polar Surface Area
45.82
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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