Molecule

ID:105888

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO₆S
Molecular Mass
381.78758
Exact Mass
381.00738579
Charge
0
InChI
InChI=1S/C16H12ClNO6S/c1-23-13-7-11-12(8-14(13)24-2)16(20)18(15(11)19)9-3-5-10(6-4-9)25(17,21)22/h3-8H,1-2H3
InChIKey
RWWGSCKRYVTNJP-UHFFFAOYSA-N
Canonic Smiles
COc1cc2C(=O)N(C(=O)c2cc1OC)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
COc1cc2c(cc1OC)C(=O)N(C2=O)c1ccc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.206018
LogD (pH = 7.4)
2.206018
Log P
2.206018
Molar Refractivity
91.1097
Polarizability
35.312405
Polar Surface Area
89.98
Rotatable Bonds
4
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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