Molecule

ID:83935

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂S
Molecular Mass
194.29656
Exact Mass
194.08776946
Charge
0
InChI
InChI=1S/C10H14N2S/c1-7(2)8-5-3-4-6-9(8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
InChIKey
FUKKXMVIGCLNGG-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1ccccc1C(C)C
Isomeric Smiles
N(c1ccccc1C(C)C)C(=S)N
Calculated Properties
JChem
Acid pKa
9.4350195
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
3.0122414
LogD (pH = 7.4)
3.008501
Log P
3.0122893
Molar Refractivity
61.7794
Polarizability
23.355583
Polar Surface Area
38.05
Rotatable Bonds
2
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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