Molecule

ID:44125

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-12(14-2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
InChIKey
BZGBXNBROBZKLC-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(cc1)C#N)C
Isomeric Smiles
c1cc(ccc1C(=O)N(C)OC)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2784374
LogD (pH = 7.4)
1.2784374
Log P
1.2784374
Molar Refractivity
52.0016
Polarizability
19.38056
Polar Surface Area
53.33
Rotatable Bonds
2
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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