Molecule
ID:122436
General Information
Molecular Formula
C₁₀H₁₂ClNO₄S
Molecular Mass
277.72458
Exact Mass
277.01755655
Charge
0
InChI
InChI=1S/C10H12ClNO4S/c11-8-3-5-9(6-4-8)17(15,16)12-7-1-2-10(13)14/h3-6,12H,1-2,7H2,(H,13,14)
InChIKey
OLFODGXQLMGVNI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCNS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)NCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3345075
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.7394328
LogD (pH = 7.4)
-2.0101519
Log P
1.4106545
Molar Refractivity
63.4564
Polarizability
25.506409
Polar Surface Area
83.47
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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