Molecule

ID:113141

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂S
Molecular Mass
192.28068
Exact Mass
192.07211939
Charge
0
InChI
InChI=1S/C10H12N2S/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKey
ITMNZMYUHMBOMN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)NC1=NCCCS1
Isomeric Smiles
C1(=NCCCS1)Nc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4746815
LogD (pH = 7.4)
2.5393214
Log P
2.6058712
Molar Refractivity
58.7397
Polarizability
21.921797
Polar Surface Area
24.39
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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