Molecule

ID:51532

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H2,(H2,9,10,11,12)
InChIKey
DRLMXVMLMGPVRC-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c(=O)[nH]c2c1CCCC2
Isomeric Smiles
[nH]1c(=O)c2c([nH]c1=O)CCCC2
Calculated Properties
JChem
Acid pKa
10.281529
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.24569026
LogD (pH = 7.4)
0.24513374
Log P
0.24569735
Molar Refractivity
43.4683
Polarizability
16.236818
Polar Surface Area
58.2
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
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References
Bioactivity
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