Molecule

ID:81297

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃S
Molecular Mass
205.27944
Exact Mass
205.06736837
Charge
0
InChI
InChI=1S/C10H11N3S/c1-10(2,11-8-14)13-12-9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
RSHZQNAVEYPOQI-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(/N=N/c1ccccc1)(C)C
Isomeric Smiles
N(=C=S)C(/N=N/c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.773113
LogD (pH = 7.4)
3.773113
Log P
3.773113
Molar Refractivity
62.6189
Polarizability
23.247412
Polar Surface Area
37.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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