Molecule

ID:44918

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c8-6-5-9-2-1-7(6)11-4-3-10/h1-2,5,10H,3-4,8H2
InChIKey
OHPAUOSZGRFTCF-UHFFFAOYSA-N
Canonic Smiles
OCCOc1ccncc1N
Isomeric Smiles
c1cncc(c1OCCO)N
Calculated Properties
JChem
Acid pKa
15.102059
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.741204
LogD (pH = 7.4)
-0.99868244
Log P
-0.9211258
Molar Refractivity
41.357
Polarizability
15.574453
Polar Surface Area
68.37
Rotatable Bonds
3
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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