Molecule

ID:124881

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₄S
Molecular Mass
304.74992
Exact Mass
304.02845559
Charge
0
InChI
InChI=1S/C11H13ClN2O4S/c12-10-5-4-9(8-11(10)14(15)16)19(17,18)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey
IYPKFPRPNYXJDZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Isomeric Smiles
S(=O)(=O)(c1cc([N+](=O)[O-])c(cc1)Cl)N1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4210236
LogD (pH = 7.4)
2.4210236
Log P
2.4210236
Molar Refractivity
72.2808
Polarizability
28.013903
Polar Surface Area
83.2
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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