Molecule

ID:22964

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O
Molecular Mass
276.33244
Exact Mass
276.12626314
Charge
0
InChI
InChI=1S/C18H16N2O/c19-15-8-10-16(11-9-15)20-18(21)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12,19H2,(H,20,21)
InChIKey
UQWFJLLOSGAJRF-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1cccc2c1cccc2)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Cc1c2c(ccc1)cccc2)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
15.599351
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.191872
LogD (pH = 7.4)
3.205668
Log P
3.2058468
Molar Refractivity
86.7935
Polarizability
33.52526
Polar Surface Area
55.12
Rotatable Bonds
3
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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