Molecule
ID:74638
General Information
Molecular Formula
C₁₉H₁₈N₂O
Molecular Mass
290.35902
Exact Mass
290.14191321
Charge
0
InChI
InChI=1S/C19H18N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-11,14,21H,12-13H2,(H,20,22)
InChIKey
YSNGDZDGGGVGHU-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1ccccc1)NCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNC(=O)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
15.823879
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.6646938
LogD (pH = 7.4)
3.6647158
Log P
3.664716
Molar Refractivity
90.2329
Polarizability
35.464565
Polar Surface Area
44.89
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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