Molecule

ID:11800

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O
Molecular Mass
124.14052
Exact Mass
124.06366289
Charge
0
InChI
InChI=1S/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3
InChIKey
UUVDJIWRSIJEBS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cn1)N
Isomeric Smiles
c1(cnc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.36017084
LogD (pH = 7.4)
0.36339247
Log P
0.3634337
Molar Refractivity
35.3782
Polarizability
13.093978
Polar Surface Area
48.14
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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