Molecule

ID:114010

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃
Molecular Mass
145.16128
Exact Mass
145.06399724
Charge
0
InChI
InChI=1S/C8H7N3/c9-7-4-6-2-1-3-10-8(6)11-5-7/h1-5H,9H2
InChIKey
ANNPJOHSVWXQRH-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc2c(c1)cccn2
Isomeric Smiles
n1c2ncccc2cc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.409256
LogD (pH = 7.4)
0.40930602
Log P
0.40930665
Molar Refractivity
44.0956
Polarizability
16.516315
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
No Data Available
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Molecule Details
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References
Bioactivity
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