Molecule

ID:65033

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₄
Molecular Mass
146.14934
Exact Mass
146.05924621
Charge
0
InChI
InChI=1S/C7H6N4/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H,(H2,8,10,11)
InChIKey
POUPCZFBDRVLNE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(n1)nccn2
Isomeric Smiles
c1c(nc2c(c1)nccn2)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.17106356
LogD (pH = 7.4)
0.171931
Log P
0.17194207
Molar Refractivity
41.8802
Polarizability
15.620851
Polar Surface Area
64.69
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
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References
Bioactivity
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