Molecule

ID:10217

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃
Molecular Mass
145.16128
Exact Mass
145.06399724
Charge
0
InChI
InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)
InChIKey
LRKLTZGZHDEBME-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc2c1nccc2
Isomeric Smiles
c1cnc2c(c1)ccnc2N
Calculated Properties
JChem
Acid pKa
19.373035
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6633689
LogD (pH = 7.4)
0.6785622
Log P
0.67875963
Molar Refractivity
42.8363
Polarizability
17.213772
Polar Surface Area
51.8
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
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Molecule Details
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References
Bioactivity
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