Molecule

ID:19912

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-10-6-7-14(16)15(8-10)19-13-5-3-4-12(9-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
MGQYWSGRVVIIRV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2cc(NC(=O)C)ccc2)c(ccc(c1)C)N
Calculated Properties
JChem
Acid pKa
13.914489
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3922188
LogD (pH = 7.4)
2.3956943
Log P
2.3957388
Molar Refractivity
76.9034
Polarizability
28.43862
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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