Molecule

ID:34384

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃
Molecular Mass
145.16128
Exact Mass
145.06399724
Charge
0
InChI
InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
InChIKey
DRYRBWIFRVMRPV-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1cccc2
Isomeric Smiles
c12c(ncnc1cccc2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0758512
LogD (pH = 7.4)
1.1889368
Log P
1.1905941
Molar Refractivity
43.8144
Polarizability
17.215342
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
No Data Available
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Molecule Details
References
Bioactivity
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