Molecule

ID:9950

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂S
Molecular Mass
178.2541
Exact Mass
178.05646933
Charge
0
InChI
InChI=1S/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3
InChIKey
HRDJPEMAGYHSJR-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)N=C=S)C
Isomeric Smiles
CN(C)c1ccc(cc1)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0936363
LogD (pH = 7.4)
3.1029942
Log P
3.1031148
Molar Refractivity
57.5495
Polarizability
20.86778
Polar Surface Area
15.6
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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