Molecule

ID:16582

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-3-4-10-7(2)8(6-11)5-9-10/h3,5-6H,1,4H2,2H3
InChIKey
DUBVKFJTRDGXSE-UHFFFAOYSA-N
Canonic Smiles
C=CCn1ncc(c1C)C=O
Isomeric Smiles
n1(c(c(cn1)C=O)C)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.044356
LogD (pH = 7.4)
1.0444186
Log P
1.0444194
Molar Refractivity
55.8578
Polarizability
16.08261
Polar Surface Area
34.89
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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