Molecule

ID:89864

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c8-6-1-3-10-4-2-9-7(10)5-6/h1-5H,8H2
InChIKey
IHFZRBQSSDQVOD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccn2c(c1)ncc2
Isomeric Smiles
n12c(ncc1)cc(cc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8830847
LogD (pH = 7.4)
-0.12592809
Log P
-0.06937653
Molar Refractivity
40.6368
Polarizability
14.42165
Polar Surface Area
43.32
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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