Molecule

ID:23335

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆N₂O₂
Molecular Mass
304.34254
Exact Mass
304.12117776
Charge
0
InChI
InChI=1S/C19H16N2O2/c20-15-6-4-5-14(13-15)19(22)21-16-9-11-18(12-10-16)23-17-7-2-1-3-8-17/h1-13H,20H2,(H,21,22)
InChIKey
BSUIXJMPURHJQW-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)Nc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
11.864979
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.735175
LogD (pH = 7.4)
3.7364612
Log P
3.736492
Molar Refractivity
92.5327
Polarizability
34.414402
Polar Surface Area
64.35
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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