Molecule

ID:124925

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNO₄S
Molecular Mass
247.65554
Exact Mass
246.97060636
Charge
0
InChI
InChI=1S/C8H6ClNO4S/c1-5-8(15(9,11)12)4-7(13-5)6-2-3-10-14-6/h2-4H,1H3
InChIKey
UESHFPJLRRFUDQ-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(cc1S(=O)(=O)Cl)c1ccno1
Isomeric Smiles
c1(S(=O)(=O)Cl)cc(oc1C)c1oncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1111283
LogD (pH = 7.4)
1.1111287
Log P
1.1111287
Molar Refractivity
54.2485
Polarizability
22.092281
Polar Surface Area
73.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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