Molecule

ID:43180

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NOS
Molecular Mass
253.31894
Exact Mass
253.05613498
Charge
0
InChI
InChI=1S/C15H11NOS/c17-14-13(11-7-3-1-4-8-11)18-15(16-14)12-9-5-2-6-10-12/h1-10,17H
InChIKey
HICCJUZMDNQOMI-UHFFFAOYSA-N
Canonic Smiles
Oc1nc(sc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c(sc1c1ccccc1)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
9.966406
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5916176
LogD (pH = 7.4)
4.590488
Log P
4.5916324
Molar Refractivity
83.5827
Polarizability
29.994179
Polar Surface Area
33.12
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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