Molecule

ID:83572

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉NO₂
Molecular Mass
317.38106
Exact Mass
317.14157885
Charge
0
InChI
InChI=1S/C21H19NO2/c1-22-15-7-10-18(22)13-14-20(23)19-11-5-6-12-21(19)24-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3
InChIKey
CAABSOSKAZBKFH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OCc1ccccc1)/C=C/c1cccn1C
Isomeric Smiles
n1(c(ccc1)/C=C/C(=O)c1ccccc1OCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
16.915504
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6806884
LogD (pH = 7.4)
4.6806884
Log P
4.6806884
Molar Refractivity
97.4858
Polarizability
36.940525
Polar Surface Area
31.23
Rotatable Bonds
6
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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