Molecule

ID:16765

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃S
Molecular Mass
193.26874
Exact Mass
193.06736837
Charge
0
InChI
InChI=1S/C9H11N3S/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8/h2-5H,6,10H2,1H3
InChIKey
FOEIWTDMPBFADW-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)Cc1cccs1
Isomeric Smiles
n1(Cc2cccs2)nc(cc1N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4054672
LogD (pH = 7.4)
1.4298754
Log P
1.4301956
Molar Refractivity
65.0091
Polarizability
20.04607
Polar Surface Area
43.84
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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