Molecule

ID:30232

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FNO₄S
Molecular Mass
261.2699832
Exact Mass
261.04710709
Charge
0
InChI
InChI=1S/C10H12FNO4S/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
BPQIMZMQDTUPAE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCNS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)F)NCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.2274055
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3022189
LogD (pH = 7.4)
-2.4928591
Log P
0.94931185
Molar Refractivity
58.868
Polarizability
23.342443
Polar Surface Area
83.47
Rotatable Bonds
5
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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