Molecule

ID:123614

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-17(12-6-4-3-5-7-12)15(18)11-8-9-14(19-2)13(16)10-11/h3-10H,16H2,1-2H3
InChIKey
PXGFSOBDVUJDJD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)N(c1ccccc1)C
Isomeric Smiles
C(=O)(N(c1ccccc1)C)c1cc(c(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9407282
LogD (pH = 7.4)
1.9425758
Log P
1.9425994
Molar Refractivity
75.871
Polarizability
28.43426
Polar Surface Area
55.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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