Molecule
ID:89001
General Information
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c1-6-7-4-2-3-5-10(7)9-8-6/h2-5H,1H3
InChIKey
JVJSJMKCXGDLIR-UHFFFAOYSA-N
Canonic Smiles
Cc1nnn2c1cccc2
Isomeric Smiles
n12c(c(nn1)C)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2536738
LogD (pH = 7.4)
1.2536772
Log P
1.2536774
Molar Refractivity
48.9264
Polarizability
14.831427
Polar Surface Area
30.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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