Molecule

ID:18404

General Information
Structure
MolImage
Molecular Formula
C₇H₅N₃O
Molecular Mass
147.1341
Exact Mass
147.0432618
Charge
0
InChI
InChI=1S/C7H5N3O/c11-5-6-4-9-10-3-1-2-8-7(6)10/h1-5H
InChIKey
YEYYVEJZJDFREI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn2c1nccc2
Isomeric Smiles
c12n(ncc1C=O)cccn2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.36546928
LogD (pH = 7.4)
0.36547488
Log P
0.36547497
Molar Refractivity
50.3576
Polarizability
14.320298
Polar Surface Area
47.26
Rotatable Bonds
1
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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