Molecule

ID:24629

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NOS
Molecular Mass
241.30824
Exact Mass
241.05613498
Charge
0
InChI
InChI=1S/C14H11NOS/c1-15-11-4-2-3-5-13(11)17-14-8-10(9-16)6-7-12(14)15/h2-9H,1H3
InChIKey
DZCOHLCHTVMOJU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)Sc1c(N2C)cccc1
Isomeric Smiles
N1(c2c(Sc3c1cccc3)cc(C=O)cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5648537
LogD (pH = 7.4)
3.5648537
Log P
3.5648537
Molar Refractivity
72.651
Polarizability
27.107683
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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