Molecule

ID:58624

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆N₂O₂
Molecular Mass
304.34254
Exact Mass
304.12117776
Charge
0
InChI
InChI=1S/C19H16N2O2/c22-18-11-16(15-7-3-4-8-17(15)20-18)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H,20,22)
InChIKey
KGWYGCXSNITOFT-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2ccccc2c(c1)C(=O)N1CCc2c(C1)cccc2
Isomeric Smiles
c1ccc2c(c1)c(cc(n2)O)C(=O)N1Cc2c(CC1)cccc2
Calculated Properties
JChem
Acid pKa
10.800065
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4841423
LogD (pH = 7.4)
3.483976
Log P
3.4841468
Molar Refractivity
89.0677
Polarizability
34.788662
Polar Surface Area
53.43
Rotatable Bonds
1
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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