Molecule

ID:109997

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅NO
Molecular Mass
273.3285
Exact Mass
273.11536411
Charge
0
InChI
InChI=1S/C19H15NO/c21-19(16-11-5-2-6-12-16)20-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,20,21)
InChIKey
GEHWGERCVXYQRY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1ccccc1c1ccccc1
Isomeric Smiles
O=C(Nc1ccccc1c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.633924
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7123556
LogD (pH = 7.4)
4.712332
Log P
4.712356
Molar Refractivity
86.7277
Polarizability
34.01956
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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