Molecule

ID:13828

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₃S
Molecular Mass
259.7093
Exact Mass
259.00699187
Charge
0
InChI
InChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-3-8(4-6-9)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKey
OUAVTZYGHGCCCB-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(N2C(=O)CCC2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2483282
LogD (pH = 7.4)
1.2483282
Log P
1.2483282
Molar Refractivity
61.1264
Polarizability
24.280462
Polar Surface Area
54.45
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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