Molecule

ID:22775

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-11-4-2-3-5-14(11)19-10-15(18)17-13-8-6-12(16)7-9-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
QBTHHXSZCPVATJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)COc1ccccc1C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
12.792247
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4034414
LogD (pH = 7.4)
2.41224
Log P
2.4123552
Molar Refractivity
76.6247
Polarizability
28.382526
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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