Molecule

ID:43393

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c1-5-6-3-2-4-8-7(6)10-9-5/h2-4H,1H3,(H,8,9,10)
InChIKey
STHBHEYNLYNJAM-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c2c1cccn2
Isomeric Smiles
n1[nH]c2c(c1C)cccn2
Calculated Properties
JChem
Acid pKa
14.791063
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9596483
LogD (pH = 7.4)
0.9596503
Log P
0.95965034
Molar Refractivity
40.3892
Polarizability
14.853371
Polar Surface Area
41.57
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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