Molecule

ID:89002

General Information
Structure
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c1-6-3-2-4-7-5-8-9-10(6)7/h2-5H,1H3
InChIKey
DTQIMRMEMDXPQA-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2n1nnc2
Isomeric Smiles
n12c(cnn1)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3218633
LogD (pH = 7.4)
1.3218684
Log P
1.3218684
Molar Refractivity
49.4846
Polarizability
14.834249
Polar Surface Area
30.19
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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