Molecule

ID:78898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂S
Molecular Mass
192.28068
Exact Mass
192.07211939
Charge
0
InChI
InChI=1S/C10H12N2S/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
YGFQVWXZMGZRJC-UHFFFAOYSA-N
Canonic Smiles
CN(/C=N/C(=S)c1ccccc1)C
Isomeric Smiles
N(=C\N(C)C)/C(=S)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8098398
LogD (pH = 7.4)
1.8109612
Log P
1.8109757
Molar Refractivity
60.2512
Polarizability
23.030117
Polar Surface Area
15.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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