Molecule

ID:69135

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,6,11H,4-5H2,(H,10,12)
InChIKey
SJZLOWYUGKIWAK-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)c1cccnc1
Isomeric Smiles
C(=O)(c1cccnc1)NCCO
Calculated Properties
JChem
Acid pKa
13.8085785
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8653094
LogD (pH = 7.4)
-0.86027706
Log P
-0.86021227
Molar Refractivity
44.1685
Polarizability
16.599007
Polar Surface Area
62.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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