Molecule

ID:30890

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-2-3-8-9-4-7(6-11)5-10-8/h4-6H,2-3H2,1H3
InChIKey
GLQPRYHEYJHVJX-UHFFFAOYSA-N
Canonic Smiles
CCCc1ncc(cn1)C=O
Isomeric Smiles
n1c(ncc(c1)C=O)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3316758
LogD (pH = 7.4)
1.3316969
Log P
1.3316971
Molar Refractivity
43.1586
Polarizability
15.888161
Polar Surface Area
42.85
Rotatable Bonds
3
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
References
Bioactivity
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