Molecule

ID:136204

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S₂
Molecular Mass
222.3298
Exact Mass
222.02854033
Charge
0
InChI
InChI=1S/C10H10N2S2/c1-12(10(13)14-8-7-11)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChIKey
FYACMHCOSCVNHO-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1)C(=S)SCC#N
Isomeric Smiles
CN(c1ccccc1)C(=S)SCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5634062
LogD (pH = 7.4)
2.5634108
Log P
2.5634108
Molar Refractivity
65.1586
Polarizability
25.21832
Polar Surface Area
27.03
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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