Molecule

ID:122333

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₄S
Molecular Mass
263.698
Exact Mass
263.00190649
Charge
0
InChI
InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
GHZFXVLKFOAKRO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(c1cc(C(=O)O)c(cc1)Cl)N(C)C
Calculated Properties
JChem
Acid pKa
2.7410762
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4033816
LogD (pH = 7.4)
-2.210126
Log P
1.2882563
Molar Refractivity
60.0703
Polarizability
23.682112
Polar Surface Area
74.68
Rotatable Bonds
2
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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