Molecule

ID:74602

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c17-16(20)13-7-4-8-14(11-13)18-15(19)10-9-12-5-2-1-3-6-12/h1-11H,(H2,17,20)(H,18,19)
InChIKey
JTMVGNNMLIDRHX-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)C(=O)N)/C=C/c1ccccc1
Isomeric Smiles
N(c1cccc(c1)C(=O)N)C(=O)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
13.894644
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4210284
LogD (pH = 7.4)
2.4210284
Log P
2.4210284
Molar Refractivity
80.4156
Polarizability
29.304432
Polar Surface Area
72.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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