Molecule

ID:30216

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃S
Molecular Mass
242.29476
Exact Mass
242.07251332
Charge
0
InChI
InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2
InChIKey
HNCRLYXMUJVCNN-UHFFFAOYSA-N
Canonic Smiles
OC1CS(=O)(=O)CC1NCc1cccnc1
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)NCc1cnccc1
Calculated Properties
JChem
Acid pKa
13.720259
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.344868
LogD (pH = 7.4)
-1.8299836
Log P
-1.5962888
Molar Refractivity
58.3836
Polarizability
24.268948
Polar Surface Area
79.29
Rotatable Bonds
3
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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