Molecule

ID:51722

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,8-9H2
InChIKey
SNHKEQOYVVRBQO-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2OCOc2cc1N
Isomeric Smiles
c1c2c(cc(c1N)N)OCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.09067589
LogD (pH = 7.4)
-0.061754238
Log P
-0.061372623
Molar Refractivity
41.2257
Polarizability
15.101503
Polar Surface Area
70.5
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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