Molecule

ID:24943

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-4-10-6(2)8(5-9-10)7(3)11/h5H,4H2,1-3H3
InChIKey
MHPHHJNFNUVBJI-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1C)C(=O)C
Isomeric Smiles
c1(c(n(nc1)CC)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.382772
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5150583
LogD (pH = 7.4)
0.5151219
Log P
0.51512265
Molar Refractivity
55.2625
Polarizability
16.247812
Polar Surface Area
34.89
Rotatable Bonds
2
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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