Molecule

ID:117284

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h3,5H,1-2,4H2,(H,7,8)
InChIKey
VCZBRPRKZKPDQD-UHFFFAOYSA-N
Canonic Smiles
C1CCn2c(N1)ncc2
Isomeric Smiles
c12n(ccn1)CCCN2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9361678
LogD (pH = 7.4)
-0.45679203
Log P
0.123914786
Molar Refractivity
36.473
Polarizability
13.000578
Polar Surface Area
29.85
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
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