Molecule

ID:83125

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂S
Molecular Mass
234.2743
Exact Mass
234.04629857
Charge
0
InChI
InChI=1S/C11H10N2O2S/c14-10(15)9-7-13-11(16-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKey
REVWBJBCAIBQGE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(s1)NCc1ccccc1
Isomeric Smiles
s1c(cnc1NCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.05538
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.8353698
LogD (pH = 7.4)
-0.83004767
Log P
2.3035622
Molar Refractivity
62.5864
Polarizability
23.061754
Polar Surface Area
62.22
Rotatable Bonds
4
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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