Molecule

ID:91873

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂S₂
Molecular Mass
246.3512
Exact Mass
246.02854033
Charge
0
InChI
InChI=1S/C12H10N2S2/c1-7-6-15-11(13)10(7)12-14-8-4-2-3-5-9(8)16-12/h2-6H,13H2,1H3
InChIKey
YXXFAQKMMOVVIA-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(c1c1nc2c(s1)cccc2)N
Isomeric Smiles
n1c(c2c(scc2C)N)sc2c1cccc2
Calculated Properties
JChem
Acid pKa
19.858889
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7690902
LogD (pH = 7.4)
3.7691743
Log P
3.7691753
Molar Refractivity
78.2376
Polarizability
27.458181
Polar Surface Area
38.91
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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