Molecule

ID:20530

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-10-8-14(6-7-15(10)16)19-13-5-3-4-12(9-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
QBTOSAWUFMCTSZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccc(c(c1)C)N
Isomeric Smiles
C(=O)(Nc1cc(Oc2cc(c(cc2)N)C)ccc1)C
Calculated Properties
JChem
Acid pKa
13.915481
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3762555
LogD (pH = 7.4)
2.3954878
Log P
2.3957388
Molar Refractivity
76.9034
Polarizability
28.437511
Polar Surface Area
64.35
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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