Molecule

ID:22648

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-11(19-14-8-3-2-4-9-14)15(18)17-13-7-5-6-12(16)10-13/h2-11H,16H2,1H3,(H,17,18)
InChIKey
CATYMVCFAKOKLP-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)NC(=O)C(Oc1ccccc1)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1ccccc1)C
Calculated Properties
JChem
Acid pKa
12.71595
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4578483
LogD (pH = 7.4)
2.4675705
Log P
2.467698
Molar Refractivity
76.0774
Polarizability
28.460226
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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