Molecule

ID:123623

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃OS
Molecular Mass
181.21498
Exact Mass
181.03098286
Charge
0
InChI
InChI=1S/C7H7N3OS/c1-4-3-12-7-9-6(11)2-5(8)10(4)7/h2-3H,8H2,1H3
InChIKey
FZBCXDKITARKMX-UHFFFAOYSA-N
Canonic Smiles
Cc1csc2n1c(N)cc(=O)n2
Isomeric Smiles
c12n(c(cc(=O)n1)N)c(cs2)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.28536233
LogD (pH = 7.4)
0.28538355
Log P
0.28538382
Molar Refractivity
58.7684
Polarizability
17.877745
Polar Surface Area
58.69
Rotatable Bonds
0
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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