Molecule

ID:114009

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃
Molecular Mass
145.16128
Exact Mass
145.06399724
Charge
0
InChI
InChI=1S/C8H7N3/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H,(H2,9,10,11)
InChIKey
FPMFWNDLLWUVEH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2c1cccn2
Isomeric Smiles
c12c(nccc1N)nccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3658531
LogD (pH = 7.4)
0.4087285
Log P
0.40930665
Molar Refractivity
44.0956
Polarizability
16.51535
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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