Molecule

ID:106702

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
InChIKey
PPJSYGVFDJEMRP-UHFFFAOYSA-N
Canonic Smiles
CCc1nccnc1C(=O)C
Isomeric Smiles
CCc1nccnc1C(=O)C
Calculated Properties
JChem
Acid pKa
14.600004
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.3133023
LogD (pH = 7.4)
0.31330475
Log P
0.3133048
Molar Refractivity
40.9934
Polarizability
15.88908
Polar Surface Area
42.85
Rotatable Bonds
2
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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