Molecule
ID:119494
General Information
Molecular Formula
C₁₉H₁₆N₂O₃
Molecular Mass
320.34194
Exact Mass
320.11609238
Charge
0
InChI
InChI=1S/C19H16N2O3/c1-24-13-6-7-17-16(10-13)12(11-20-17)8-9-21-18(22)14-4-2-3-5-15(14)19(21)23/h2-7,10-11,20H,8-9H2,1H3
InChIKey
YFCVRSLQAHYLRE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCN1C(=O)c3c(C1=O)cccc3)c[nH]2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCc1c2c([nH]c1)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
16.483921
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.871324
LogD (pH = 7.4)
2.871324
Log P
2.871324
Molar Refractivity
91.1288
Polarizability
35.117874
Polar Surface Area
62.4
Rotatable Bonds
4
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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