Molecule

ID:86239

General Information
Structure
Molecular Formula
C₇H₅N₃O
Molecular Mass
147.1341
Exact Mass
147.0432618
Charge
0
InChI
InChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-10-9-5-11-7/h1-5H
InChIKey
WKTRMACWCCVROF-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)c1nnco1
Isomeric Smiles
n1c(c2cccnc2)ocn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.24276946
LogD (pH = 7.4)
-0.23827432
Log P
-0.23821664
Molar Refractivity
49.9283
Polarizability
14.832705
Polar Surface Area
51.81
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
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Molecule Details
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References
Bioactivity
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