Molecule

ID:10246

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNO₂S
Molecular Mass
207.6778
Exact Mass
207.01207725
Charge
0
InChI
InChI=1S/C7H9NO2S.ClH/c1-11(9,10)7-4-2-3-6(8)5-7;/h2-5H,8H2,1H3;1H
InChIKey
ZMPXGSYLKFAGOV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)C.Cl
Isomeric Smiles
c1(cccc(c1)S(=O)(=O)C)N.Cl
Calculated Properties
JChem
Acid pKa
19.69419
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.015694551
LogD (pH = 7.4)
-0.015375663
Log P
-0.0153715955
Molar Refractivity
44.762
Polarizability
17.460678
Polar Surface Area
60.16
Rotatable Bonds
1
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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