Molecule

ID:32475

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-10-6-4-9-3-5(8)7(6)11-2/h3-4H,8H2,1-2H3
InChIKey
KOSAVBLGLHXMDI-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cncc1N
Isomeric Smiles
c1(cncc(c1OC)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1115683
LogD (pH = 7.4)
-0.43217316
Log P
-0.3886951
Molar Refractivity
41.5279
Polarizability
15.632104
Polar Surface Area
57.37
Rotatable Bonds
2
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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