Molecule
ID:117283
General Information
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c1-3-8-4-2-7-5(8)6-1/h1,3H,2,4H2,(H,6,7)
InChIKey
ISIOZKZXXAFJTG-UHFFFAOYSA-N
Canonic Smiles
C1CNc2n1ccn2
Isomeric Smiles
c12n(ccn1)CCN2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.995464
LogD (pH = 7.4)
-0.50558954
Log P
0.063955046
Molar Refractivity
31.6076
Polarizability
11.165666
Polar Surface Area
29.85
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
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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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