Molecule

ID:41686

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃
Molecular Mass
145.16128
Exact Mass
145.06399724
Charge
0
InChI
InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2
InChIKey
MSGRFBKVMUKEGZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nccn2
Isomeric Smiles
c12cc(N)ccc2nccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4646111
LogD (pH = 7.4)
0.4700822
Log P
0.4701524
Molar Refractivity
42.1508
Polarizability
17.219345
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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