Molecule

ID:17984

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₅
Molecular Mass
161.16398
Exact Mass
161.07014525
Charge
0
InChI
InChI=1S/C7H7N5/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,8H2
InChIKey
YXWXLBHIUVBLIH-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1cnnn1
Isomeric Smiles
n1(nnnc1)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1633411
LogD (pH = 7.4)
0.18150754
Log P
0.1817442
Molar Refractivity
47.6933
Polarizability
16.800022
Polar Surface Area
69.62
Rotatable Bonds
1
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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