Molecule

ID:111849

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
InChIKey
DYUXVJAFBUZREW-VHSXEESVSA-N
Canonic Smiles
O=C=N[C@@H]1C[C@H]1c1ccccc1
Isomeric Smiles
O=C=N[C@@H]1C[C@H]1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9217218
LogD (pH = 7.4)
1.9217218
Log P
1.9217218
Molar Refractivity
45.116
Polarizability
17.376259
Polar Surface Area
29.43
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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