Molecule

ID:62504

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h5H,1-4H2,(H,10,11)
InChIKey
YZVBTQDJTRCXMW-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]nc2c(c1)CCCC2
Isomeric Smiles
n1[nH]c(=O)cc2c1CCCC2
Calculated Properties
JChem
Acid pKa
11.0100765
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.78003
LogD (pH = 7.4)
0.7799371
Log P
0.7800315
Molar Refractivity
42.2202
Polarizability
15.710554
Polar Surface Area
41.46
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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