Molecule

ID:44208

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂OS
Molecular Mass
254.307
Exact Mass
254.05138395
Charge
0
InChI
InChI=1S/C14H10N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKey
CRGOYNYLYMPGKH-UHFFFAOYSA-N
Canonic Smiles
S=c1[nH]c2ccccc2c(=O)n1c1ccccc1
Isomeric Smiles
n1(c(=S)[nH]c2c(c1=O)cccc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.14777
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5175242
LogD (pH = 7.4)
3.450883
Log P
3.5184517
Molar Refractivity
76.4413
Polarizability
28.635283
Polar Surface Area
32.34
Rotatable Bonds
1
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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