Molecule
ID:58660
General Information
Molecular Formula
C₃H₇N₃S
Molecular Mass
117.17278
Exact Mass
117.03606824
Charge
0
InChI
InChI=1S/C3H7N3S/c1-7-3-2-5-6-4/h2-3H2,1H3
InChIKey
VJFYHKCOVWLIQY-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=NCCSC
Isomeric Smiles
CSCCN=[N+]=[N-]
Calculated Properties
JChem
Acid pKa
4.6947203
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.99739754
LogD (pH = 7.4)
0.98034734
Log P
1.0941365
Molar Refractivity
31.6797
Polarizability
11.601255
Polar Surface Area
29.43
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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