Molecule

ID:28597

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₄S
Molecular Mass
303.76186
Exact Mass
303.03320661
Charge
0
InChI
InChI=1S/C12H14ClNO4S/c1-18-11-5-4-9(19(13,16)17)8-10(11)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKey
HEXKGFPPFKNFCR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N1CCCC1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(C(=O)N2CCCC2)c(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4656672
LogD (pH = 7.4)
1.4656675
Log P
1.4656675
Molar Refractivity
73.1282
Polarizability
28.467299
Polar Surface Area
63.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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