Molecule

ID:13733

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
InChIKey
OYTKINVCDFNREN-UHFFFAOYSA-N
Canonic Smiles
Nc1cnccc1N
Isomeric Smiles
c1cncc(c1N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8869183
LogD (pH = 7.4)
-1.8383725
Log P
-0.90227854
Molar Refractivity
33.3019
Polarizability
11.705648
Polar Surface Area
64.93
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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