Molecule

ID:3255

General Information
Structure
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Molecular Formula
C₂H₃N₃
Molecular Mass
69.06532
Exact Mass
69.03269711
Charge
0
InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKey
NSPMIYGKQJPBQR-UHFFFAOYSA-N
Canonic Smiles
[nH]1cnnc1
Isomeric Smiles
c1[nH]cnn1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.41
LogD (pH = 5.5)
-0.41
Log P
-0.41
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.90
Polar Surface Area
41.57
Polarizability
5.94
Molar Refractivity
18.92
LOG S
-0.36
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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