Molecule

ID:44996

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c1-10-5-9-6-3-2-4-8-7(6)10/h2-5H,1H3
InChIKey
XAUBEYHIVLSHOG-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c1nccc2
Isomeric Smiles
c1cnc2c(c1)ncn2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6323897
LogD (pH = 7.4)
0.6329624
Log P
0.6329697
Molar Refractivity
37.6609
Polarizability
14.851452
Polar Surface Area
30.71
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
References
Bioactivity
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