Molecule

ID:68300

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
InChIKey
JIADELSANNMYFC-UHFFFAOYSA-N
Canonic Smiles
COc1cncnc1
Isomeric Smiles
c1ncc(cn1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.10795702
LogD (pH = 7.4)
-0.10793608
Log P
-0.10793581
Molar Refractivity
29.1855
Polarizability
11.074652
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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