Molecule

ID:26748

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂S
Molecular Mass
222.2636
Exact Mass
222.04629857
Charge
0
InChI
InChI=1S/C10H10N2O2S/c11-9-8(3-5-15-9)10(13)12-6-7-2-1-4-14-7/h1-5H,6,11H2,(H,12,13)
InChIKey
JSQOJQNTLSMBGB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccsc1N)NCc1ccco1
Isomeric Smiles
c1(c(scc1)N)C(=O)NCc1occc1
Calculated Properties
JChem
Acid pKa
15.304625
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5997912
LogD (pH = 7.4)
1.5997939
Log P
1.5997939
Molar Refractivity
58.0027
Polarizability
21.327433
Polar Surface Area
68.26
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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