Molecule

ID:32157

General Information
Structure
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKey
KJMNPGUHEUTHMR-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1cccc(c1)C)\N
Isomeric Smiles
C(=N\O)(/c1cc(ccc1)C)\N
Calculated Properties
JChem
Acid pKa
10.130807
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.244592
LogD (pH = 7.4)
1.4005282
Log P
1.4039539
Molar Refractivity
44.1214
Polarizability
16.471228
Polar Surface Area
58.61
Rotatable Bonds
1
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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