Molecule

ID:74636

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃S
Molecular Mass
205.27944
Exact Mass
205.06736837
Charge
0
InChI
InChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)
InChIKey
SHUQFXIRXYXNOZ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)N/N=C/C=C/c1ccccc1
Isomeric Smiles
S=C(N/N=C/C=C/c1ccccc1)N
Calculated Properties
JChem
Acid pKa
11.724461
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.9542787
LogD (pH = 7.4)
1.9569678
Log P
1.9570062
Molar Refractivity
63.7251
Polarizability
23.993254
Polar Surface Area
50.41
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
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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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