Molecule

ID:54452

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c8-5-1-2-9-7-6(5)10-3-4-11-7/h1-2H,3-4H2,(H2,8,9)
InChIKey
JTNBYFVUXPHZIJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2c1OCCO2
Isomeric Smiles
c1cnc2c(c1N)OCCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.955108
LogD (pH = 7.4)
-0.028357923
Log P
0.03423749
Molar Refractivity
39.8724
Polarizability
14.919136
Polar Surface Area
57.37
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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