Molecule

ID:73497

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-7(10-6-11)8-3-2-4-9-5-8/h2-7H,1H3,(H,10,11)
InChIKey
VXOPFWHGVDOZIX-UHFFFAOYSA-N
Canonic Smiles
O=CNC(c1cccnc1)C
Isomeric Smiles
n1cc(ccc1)C(NC=O)C
Calculated Properties
JChem
Acid pKa
15.337028
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0010243208
LogD (pH = 7.4)
0.06710413
Log P
0.06806474
Molar Refractivity
41.7466
Polarizability
16.157547
Polar Surface Area
41.99
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
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Molecule Details
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References
Bioactivity
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