Molecule

ID:21446

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O
Molecular Mass
124.14052
Exact Mass
124.06366289
Charge
0
InChI
InChI=1S/C6H8N2O/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8)
InChIKey
SVEQHRSELNPKJJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccn1
Isomeric Smiles
c1c(nccc1N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.75100523
LogD (pH = 7.4)
0.26633328
Log P
0.3634337
Molar Refractivity
35.3782
Polarizability
13.090431
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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