Molecule

ID:50665

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c1-2-6-7(9-3-1)10-5-4-8-6/h1-3,8H,4-5H2
InChIKey
LTWFBZQFHPDLNU-UHFFFAOYSA-N
Canonic Smiles
C1COc2c(N1)cccn2
Isomeric Smiles
c1cnc2c(c1)NCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.49208984
LogD (pH = 7.4)
0.49359363
Log P
0.49361283
Molar Refractivity
38.9026
Polarizability
14.2099905
Polar Surface Area
34.15
Rotatable Bonds
0
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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