Molecule

ID:63079

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2
InChIKey
USRYWZFLGFQQEB-UHFFFAOYSA-N
Canonic Smiles
NCc1cncnc1
Isomeric Smiles
n1cncc(c1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.680795
LogD (pH = 7.4)
-2.260922
Log P
-0.8244961
Molar Refractivity
31.1957
Polarizability
11.900228
Polar Surface Area
51.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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