Molecule

ID:108420

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂S
Molecular Mass
194.29656
Exact Mass
194.08776946
Charge
0
InChI
InChI=1S/C10H14N2S/c1-8-4-6-9(7-5-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
NVFPKSLOJQQWMO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NC(=S)N(C)C
Isomeric Smiles
CN(C)C(=S)Nc1ccc(C)cc1
Calculated Properties
JChem
Acid pKa
9.545107
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.7280166
LogD (pH = 7.4)
2.7251103
Log P
2.7280538
Molar Refractivity
62.4232
Polarizability
23.357279
Polar Surface Area
15.27
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
No Data Available
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Molecule Details
References
Bioactivity
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