Molecule

ID:78781

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₂S
Molecular Mass
314.18706
Exact Mass
312.97310489
Charge
0
InChI
InChI=1S/C13H9Cl2NO2S/c1-8-2-4-9(5-3-8)19-13-7-11(15)10(14)6-12(13)16(17)18/h2-7H,1H3
InChIKey
SRWOIDYSBQOPDU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Sc1cc(Cl)c(cc1[N+](=O)[O-])Cl
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)Cl)Cl)Sc1ccc(cc1)C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.82349
LogD (pH = 7.4)
5.82349
Log P
5.82349
Molar Refractivity
80.7176
Polarizability
30.40735
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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