Molecule

ID:88595

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c11-5-6-12-8-3-1-2-4-9(8)14-7-10(12)13/h1-4H,6-7H2
InChIKey
GIAYQAAXNNMIET-UHFFFAOYSA-N
Canonic Smiles
N#CCN1C(=O)COc2c1cccc2
Isomeric Smiles
O1CC(=O)N(c2c1cccc2)CC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.15461218
LogD (pH = 7.4)
0.15461218
Log P
0.15461218
Molar Refractivity
49.0049
Polarizability
18.70748
Polar Surface Area
53.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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