Molecule

ID:39782

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
InChIKey
YDTDKKULPWTHRV-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c2c1cccc2
Isomeric Smiles
n1c(c2c([nH]1)cccc2)N
Calculated Properties
JChem
Acid pKa
15.314614
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0606246
LogD (pH = 7.4)
1.061824
Log P
1.0618392
Molar Refractivity
41.087
Polarizability
15.794557
Polar Surface Area
54.7
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
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Molecule Details
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References
Bioactivity
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