Molecule

ID:40941

General Information
Structure
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-12(19)18-15-6-8-16(9-7-15)20-11-14-5-3-2-4-13(14)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKey
MOTMUKZDEFHCLT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1COc1ccc(cc1)NC(=O)C
Isomeric Smiles
c1cc(ccc1OCc1ccccc1C#N)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.963083
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6338542
LogD (pH = 7.4)
2.6338542
Log P
2.6338542
Molar Refractivity
77.7184
Polarizability
29.142225
Polar Surface Area
62.12
Rotatable Bonds
4
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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