Molecule

ID:43740

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂OS
Molecular Mass
206.2642
Exact Mass
206.05138395
Charge
0
InChI
InChI=1S/C10H10N2OS/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7+
InChIKey
JQZFGDHPUCKBHT-BQYQJAHWSA-N
Canonic Smiles
N#C/C(=C\N(C)C)/C(=O)c1cccs1
Isomeric Smiles
c1(cccs1)C(=O)/C(=C/N(C)C)/C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5998592
LogD (pH = 7.4)
1.59996
Log P
1.5999613
Molar Refractivity
56.7565
Polarizability
20.854706
Polar Surface Area
44.1
Rotatable Bonds
3
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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