Molecule

ID:92002

General Information
Structure
Molecular Formula
C₁₀H₇N₃
Molecular Mass
169.18268
Exact Mass
169.06399724
Charge
0
InChI
InChI=1S/C10H7N3/c1-2-4-10-8(3-1)5-6-9-7-11-12-13(9)10/h1-7H
InChIKey
OCSVDRXXLBXUJM-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)n1nncc1cc2
Isomeric Smiles
n12c3ccccc3ccc1cnn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1411812
LogD (pH = 7.4)
2.141185
Log P
2.141185
Molar Refractivity
60.6626
Polarizability
20.649765
Polar Surface Area
30.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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